N-{1-[(benzylcarbamoyl)amino]-3-methyl-1-oxopentan-2-yl}acetamide

• ChemBase ID: 191345
• Molecular Formular: C16H23N3O3
• Molecular Mass: 305.37212
• Monoisotopic Mass: 305.17394161
• SMILES: N(C(=O)C(NC(=O)C)C(CC)C)C(=O)NCc1ccccc1
• Canonical SMILES: CCC(C(C(=O)NC(=O)NCc1ccccc1)NC(=O)C)C
• InChI: InChI=1S/C16H23N3O3/c1-4-11(2)14(18-12(3)20)15(21)19-16(22)17-10-13-8-6-5-7-9-13/h5-9,11,14H,4,10H2,1-3H3,(H,18,20)(H2,17,19,21,22)
• InChIKey: LYTIXGUTYOIHJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(benzylcarbamoyl)amino]-3-methyl-1-oxopentan-2-yl}acetamide
• IUPAC Traditional name: N-{1-[(benzylcarbamoyl)amino]-3-methyl-1-oxopentan-2-yl}acetamide

Database IDs

• PubChem SID: 164247255
• PubChem CID: 3733699

CALCULATED PROPERTIES

• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 11.52852
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.3684679
• LogD (pH = 7.4): 1.3684367
• Log P: 1.3684685
• Molar Refractivity: 83.1118 cm^3
• Polarizability: 32.382305 Å^3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds