1-cyclopropanecarbonyl-N-methyl-N-[(4-phenoxyphenyl)methyl]pyrrolidine-2-carboxamide

• ChemBase ID: 845094
• Molecular Formular: C23H26N2O3
• Molecular Mass: 378.46414
• Monoisotopic Mass: 378.1943427
• SMILES: N1(C(=O)C2CC2)C(C(=O)N(Cc2ccc(Oc3ccccc3)cc2)C)CCC1
• Canonical SMILES: O=C(C1CCCN1C(=O)C1CC1)N(Cc1ccc(cc1)Oc1ccccc1)C
• InChI: InChI=1S/C23H26N2O3/c1-24(23(27)21-8-5-15-25(21)22(26)18-11-12-18)16-17-9-13-20(14-10-17)28-19-6-3-2-4-7-19/h2-4,6-7,9-10,13-14,18,21H,5,8,11-12,15-16H2,1H3
• InChIKey: JGZAZZUTCACSRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-N-methyl-N-[(4-phenoxyphenyl)methyl]pyrrolidine-2-carboxamide
• IUPAC Traditional name: 1-cyclopropanecarbonyl-N-methyl-N-[(4-phenoxyphenyl)methyl]pyrrolidine-2-carboxamide
• Synonyms: 1-(cyclopropylcarbonyl)-N-methyl-N-(4-phenoxybenzyl)prolinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1577668
• LogD (pH = 7.4): 3.1577668
• Log P: 3.1577668
• Molar Refractivity: 107.4984 cm^3
• Polarizability: 41.867435 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.96
• LOG S: -4.49
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6