benzyl N-{2-methyl-1-[(1-oxo-3-phenylpropan-2-yl)carbamoyl]propyl}carbamate

benzyl N-{2-methyl-1-[(1-oxo-3-phenylpropan-2-yl)carbamoyl]propyl}carbamate

CAS: 88191-84-8

Formula: C22H26N2O4

SMILES: CC(C)C(NC(=O)OCC1=CC=CC=C1)C(=O)NC(CC1=CC=CC=C1)C=O

IUPAC: benzyl N-{2-methyl-1-[(1-oxo-3-phenylpropan-2-yl)carbamoyl]propyl}carbamate

InChI: InChI=1/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)

Composition: C (69.09%), H (6.85%), N (7.32%), O (16.73%)

Molar Mass: 382.46

Atom Count: 54

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	382.189257325
Formal Charge	0
FSP3	0.32
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NGBKFLTYGSREKK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.16
Topological Polar Surface Area	84.5
Polarizability	41.52
Ring Count	2
Rotatable Bond Count	10

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