3-[({[4-(2-methoxyethoxy)phenyl]methyl}carbamoyl)amino]-N,N-dimethylbenzamide

• ChemBase ID: 319255
• Molecular Formular: C20H25N3O4
• Molecular Mass: 371.4302
• Monoisotopic Mass: 371.1845063
• SMILES: C(=O)(c1cc(NC(=O)NCc2ccc(cc2)OCCOC)ccc1)N(C)C
• Canonical SMILES: COCCOc1ccc(cc1)CNC(=O)Nc1cccc(c1)C(=O)N(C)C
• InChI: InChI=1S/C20H25N3O4/c1-23(2)19(24)16-5-4-6-17(13-16)22-20(25)21-14-15-7-9-18(10-8-15)27-12-11-26-3/h4-10,13H,11-12,14H2,1-3H3,(H2,21,22,25)
• InChIKey: OHGRTXZLJYJVJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[({[4-(2-methoxyethoxy)phenyl]methyl}carbamoyl)amino]-N,N-dimethylbenzamide
• IUPAC Traditional name: 3-[({[4-(2-methoxyethoxy)phenyl]methyl}carbamoyl)amino]-N,N-dimethylbenzamide
• Synonyms: 3-[({[4-(2-methoxyethoxy)benzyl]amino}carbonyl)amino]-N,N-dimethylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.186727
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9189054
• LogD (pH = 7.4): 1.9189048
• Log P: 1.9189055
• Molar Refractivity: 105.4855 cm^3
• Polarizability: 39.35432 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.03
• LOG S: -2.79
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 8