N-(2,2-dimethoxyethyl)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide

• ChemBase ID: 183231
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: c12[nH]c3c(c1CCCC2N(C(=O)C)CC(OC)OC)cc(cc3)C
• Canonical SMILES: COC(CN(C1CCCc2c1[nH]c1c2cc(cc1)C)C(=O)C)OC
• InChI: InChI=1S/C19H26N2O3/c1-12-8-9-16-15(10-12)14-6-5-7-17(19(14)20-16)21(13(2)22)11-18(23-3)24-4/h8-10,17-18,20H,5-7,11H2,1-4H3
• InChIKey: LKAOPDXSWUVDDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethoxyethyl)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
• IUPAC Traditional name: N-(2,2-dimethoxyethyl)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide

Database IDs

• PubChem SID: 164239141
• PubChem CID: 3804566

CALCULATED PROPERTIES

• Acid pKa: 16.752655
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8944411
• LogD (pH = 7.4): 2.8944414
• Log P: 2.8944414
• Molar Refractivity: 93.8835 cm^3
• Polarizability: 37.49133 Å^3
• Polar Surface Area: 54.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Derivatives & analogs of Natural Compounds