N-(5-acetamido-2-methoxyphenyl)-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide

• ChemBase ID: 686664
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: N1(C(=O)Nc2cc(NC(=O)C)ccc2OC)CC(N2C(C)CCCC2)C1
• Canonical SMILES: COc1ccc(cc1NC(=O)N1CC(C1)N1CCCCC1C)NC(=O)C
• InChI: InChI=1S/C19H28N4O3/c1-13-6-4-5-9-23(13)16-11-22(12-16)19(25)21-17-10-15(20-14(2)24)7-8-18(17)26-3/h7-8,10,13,16H,4-6,9,11-12H2,1-3H3,(H,20,24)(H,21,25)
• InChIKey: FCBBOBMDFBIEHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-acetamido-2-methoxyphenyl)-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
• IUPAC Traditional name: N-(5-acetamido-2-methoxyphenyl)-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
• Synonyms: N-[5-(acetylamino)-2-methoxyphenyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.713216
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.86882824
• LogD (pH = 7.4): 0.89291584
• Log P: 1.5786297
• Molar Refractivity: 102.9984 cm^3
• Polarizability: 38.555843 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.63
• LOG S: -3.22
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 4