3-[(cyclobutylcarbamoyl)amino]-N-(2-methoxyethyl)-2-methylbenzamide

• ChemBase ID: 407781
• Molecular Formular: C16H23N3O3
• Molecular Mass: 305.37212
• Monoisotopic Mass: 305.17394161
• SMILES: C(=O)(Nc1c(c(C(=O)NCCOC)ccc1)C)NC1CCC1
• Canonical SMILES: COCCNC(=O)c1cccc(c1C)NC(=O)NC1CCC1
• InChI: InChI=1S/C16H23N3O3/c1-11-13(15(20)17-9-10-22-2)7-4-8-14(11)19-16(21)18-12-5-3-6-12/h4,7-8,12H,3,5-6,9-10H2,1-2H3,(H,17,20)(H2,18,19,21)
• InChIKey: POQGCPFWISHBRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(cyclobutylcarbamoyl)amino]-N-(2-methoxyethyl)-2-methylbenzamide
• IUPAC Traditional name: 3-[(cyclobutylcarbamoyl)amino]-N-(2-methoxyethyl)-2-methylbenzamide
• Synonyms: 3-{[(cyclobutylamino)carbonyl]amino}-N-(2-methoxyethyl)-2-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.403722
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.5519819
• LogD (pH = 7.4): 1.5519818
• Log P: 1.5519822
• Molar Refractivity: 86.3664 cm^3
• Polarizability: 31.978355 Å^3
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.5
• LOG S: -2.71
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 6