2-methoxy-N,N-dimethyl-5-({[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}amino)benzamide

• ChemBase ID: 316235
• Molecular Formular: C18H26N4O4
• Molecular Mass: 362.42344
• Monoisotopic Mass: 362.19540533
• SMILES: c1(C(=O)N(C)C)c(ccc(c1)NC(=O)NCCCN1C(=O)CCC1)OC
• Canonical SMILES: COc1ccc(cc1C(=O)N(C)C)NC(=O)NCCCN1CCCC1=O
• InChI: InChI=1S/C18H26N4O4/c1-21(2)17(24)14-12-13(7-8-15(14)26-3)20-18(25)19-9-5-11-22-10-4-6-16(22)23/h7-8,12H,4-6,9-11H2,1-3H3,(H2,19,20,25)
• InChIKey: DXZSMQNGHKOCTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N,N-dimethyl-5-({[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}amino)benzamide
• IUPAC Traditional name: 2-methoxy-N,N-dimethyl-5-({[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}amino)benzamide
• Synonyms: 2-methoxy-N,N-dimethyl-5-[({[3-(2-oxopyrrolidin-1-yl)propyl]amino}carbonyl)amino]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.830832
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.22609067
• LogD (pH = 7.4): -0.22609071
• Log P: -0.22609057
• Molar Refractivity: 99.8804 cm^3
• Polarizability: 36.967037 Å^3
• Polar Surface Area: 90.98 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: -0.41
• LOG S: -2.8
• Polar Surface Area: 90.98 Å^2
• Rotatable Bonds: 7