N-(furan-2-ylmethyl)-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

• ChemBase ID: 570858
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: c12[nH]c3c(c2CCCC1C(=O)N(Cc1occc1)C)cccc3
• Canonical SMILES: CN(C(=O)C1CCCc2c1[nH]c1c2cccc1)Cc1ccco1
• InChI: InChI=1S/C19H20N2O2/c1-21(12-13-6-5-11-23-13)19(22)16-9-4-8-15-14-7-2-3-10-17(14)20-18(15)16/h2-3,5-7,10-11,16,20H,4,8-9,12H2,1H3
• InChIKey: AGTHEXWAIKWMJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
• Synonyms: N-(2-furylmethyl)-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.66606
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0921369
• LogD (pH = 7.4): 3.0921369
• Log P: 3.0921369
• Molar Refractivity: 89.3632 cm^3
• Polarizability: 35.28582 Å^3
• Polar Surface Area: 49.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.79
• LOG S: -4.73
• Polar Surface Area: 49.24 Å^2
• Rotatable Bonds: 3