N-cyclopropyl-3-{[ethyl(oxan-4-ylmethyl)carbamoyl]amino}-4-methoxybenzamide

• ChemBase ID: 595924
• Molecular Formular: C20H29N3O4
• Molecular Mass: 375.46196
• Monoisotopic Mass: 375.21580642
• SMILES: C(=O)(Nc1cc(C(=O)NC2CC2)ccc1OC)N(CC1CCOCC1)CC
• Canonical SMILES: CCN(C(=O)Nc1cc(ccc1OC)C(=O)NC1CC1)CC1CCOCC1
• InChI: InChI=1S/C20H29N3O4/c1-3-23(13-14-8-10-27-11-9-14)20(25)22-17-12-15(4-7-18(17)26-2)19(24)21-16-5-6-16/h4,7,12,14,16H,3,5-6,8-11,13H2,1-2H3,(H,21,24)(H,22,25)
• InChIKey: CMEQUYNQJYVAFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-{[ethyl(oxan-4-ylmethyl)carbamoyl]amino}-4-methoxybenzamide
• IUPAC Traditional name: N-cyclopropyl-3-{[ethyl(oxan-4-ylmethyl)carbamoyl]amino}-4-methoxybenzamide
• Synonyms: N-cyclopropyl-3-({[ethyl(tetrahydro-2H-pyran-4-ylmethyl)amino]carbonyl}amino)-4-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.7038
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4855667
• LogD (pH = 7.4): 1.4855467
• Log P: 1.4855672
• Molar Refractivity: 105.0827 cm^3
• Polarizability: 39.37592 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.45
• LOG S: -3.18
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 7