5-{[(2,3-dihydro-1H-inden-2-yl)carbamoyl]amino}-2-methoxy-N,N-dimethylbenzamide

• ChemBase ID: 448689
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: c1(C(=O)N(C)C)c(ccc(NC(=O)NC2Cc3c(C2)cccc3)c1)OC
• Canonical SMILES: COc1ccc(cc1C(=O)N(C)C)NC(=O)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C20H23N3O3/c1-23(2)19(24)17-12-15(8-9-18(17)26-3)21-20(25)22-16-10-13-6-4-5-7-14(13)11-16/h4-9,12,16H,10-11H2,1-3H3,(H2,21,22,25)
• InChIKey: PICDUBDTJKZRPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[(2,3-dihydro-1H-inden-2-yl)carbamoyl]amino}-2-methoxy-N,N-dimethylbenzamide
• IUPAC Traditional name: 5-{[(2,3-dihydro-1H-inden-2-yl)carbamoyl]amino}-2-methoxy-N,N-dimethylbenzamide
• Synonyms: 5-{[(2,3-dihydro-1H-inden-2-ylamino)carbonyl]amino}-2-methoxy-N,N-dimethylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.799127
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.3541977
• LogD (pH = 7.4): 2.3541975
• Log P: 2.3541977
• Molar Refractivity: 102.1768 cm^3
• Polarizability: 37.925045 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.99
• LOG S: -3.48
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 4