N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

• ChemBase ID: 543754
• Molecular Formular: C22H28N2O3
• Molecular Mass: 368.46932
• Monoisotopic Mass: 368.20999277
• SMILES: C(=O)(N(Cc1c(OCC)cccc1)C1CC1)c1oc(cc1)CN1CCCC1
• Canonical SMILES: CCOc1ccccc1CN(C(=O)c1ccc(o1)CN1CCCC1)C1CC1
• InChI: InChI=1S/C22H28N2O3/c1-2-26-20-8-4-3-7-17(20)15-24(18-9-10-18)22(25)21-12-11-19(27-21)16-23-13-5-6-14-23/h3-4,7-8,11-12,18H,2,5-6,9-10,13-16H2,1H3
• InChIKey: YWGMYIRIFWSVAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
• Synonyms: N-cyclopropyl-N-(2-ethoxybenzyl)-5-(pyrrolidin-1-ylmethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.61916095
• LogD (pH = 7.4): 2.3689058
• Log P: 2.9878545
• Molar Refractivity: 106.3175 cm^3
• Polarizability: 40.620934 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.24
• LOG S: -4.65
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 8