2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-6-ylmethyl)oxolane-2-carboxamide

• ChemBase ID: 625694
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: [nH]1c2c(c3c1ccc(c3)CNC(=O)C1(OCCC1)C)CCCC2
• Canonical SMILES: O=C(C1(C)CCCO1)NCc1ccc2c(c1)c1CCCCc1[nH]2
• InChI: InChI=1S/C19H24N2O2/c1-19(9-4-10-23-19)18(22)20-12-13-7-8-17-15(11-13)14-5-2-3-6-16(14)21-17/h7-8,11,21H,2-6,9-10,12H2,1H3,(H,20,22)
• InChIKey: NEENPBMTHXBYTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-6-ylmethyl)oxolane-2-carboxamide
• IUPAC Traditional name: 2-methyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)oxolane-2-carboxamide
• Synonyms: 2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-6-ylmethyl)tetrahydrofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.418599
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1093688
• LogD (pH = 7.4): 3.1093688
• Log P: 3.1093688
• Molar Refractivity: 91.0284 cm^3
• Polarizability: 36.077217 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.62
• LOG S: -3.72
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 3