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57227-08-4

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Basic Information
CAS No.: 57227-08-4
Name: alpha-(Benzoylamino)-4-(benzoyloxy)-N,N-dipropylbenzenepropanamide
Molecular Structure:
Molecular Structure of 57227-08-4 (alpha-(Benzoylamino)-4-(benzoyloxy)-N,N-dipropylbenzenepropanamide)
Formula: C29H32 N2 O4
Molecular Weight: 472.584
Synonyms: Benzenepropanamide,a-(benzoylamino)-4-(benzoyloxy)-N,N-dipropyl-,(?à)-
Density: 1.150
Boiling Point: 690.0±55.0 °C(Predicted)
PSA: 75.71000
LogP: 5.28640
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Chemistry

Molecular Structure of alpha-(Benzoylamino)-4-(benzoyloxy)-N,N-dipropylbenzenepropanamide (CAS No.57227-08-4):

Molecular Formula: C29H32N2O4
Molecular Weight: 472.58
CAS No: 57227-08-4
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 12
Polar Surface Area: 75.71 Å2
Index of Refraction: 1.58
Molar Refractivity: 136.78 cm3
Molar Volume: 410.7 cm3
Surface Tension: 47.1 dyne/cm
Density: 1.15 g/cm3
Flash Point: 371.1 °C
Enthalpy of Vaporization: 101.12 kJ/mol
Boiling Point: 690 °C at 760 mmHg
Vapour Pressure: 6.91E-19 mmHg at 25°C
Systematic Name: Benzenepropanamide, alpha-(benzoylamino)-4-(benzoyloxy)-N,N-dipropyl-  
SMILES: CCCN(CCC)C(=O)C(Cc1ccc(cc1)OC(=O)c2ccccc2)NC(=O)c3ccccc3
InChI: InChI=1/C29H32N2O4/c1-3-19-31(20-4-2)28(33)26(30-27(32)23-11-7-5-8-12-23)21-22-15-17-25(18-16-22)35-29(34)24-13-9-6-10-14-24/h5-18,26H,3-4,19-21H2,1-2H3,(H,30,32)
InChIKey: DYDQAHTZBCHHPC-UHFFFAOYAS
Std. InChI: InChI=1S/C29H32N2O4/c1-3-19-31(20-4-2)28(33)26(30-27(32)23-11-7-5-8-12-23)21-22-15-17-25(18-16-22)35-29(34)24-13-9-6-10-14-24/h5-18,26H,3-4,19-21H2,1-2H3,(H,30,32)
Std. InChIKey: DYDQAHTZBCHHPC-UHFFFAOYSA-N

Specification

   alpha-(Benzoylamino)-4-(benzoyloxy)-N,N-dipropylbenzenepropanamide (CAS No.57227-08-4), it also can be called 4-[2-(Benzoylamino)-3-(dipropylamino)-3-oxopropyl]phenyl benzoate ; Benzenepropanamide, alpha-(benzoylamino)-4-(benzoyloxy)-N,N-dipropyl- .