N-[1-(9-methyl-9H-carbazol-3-yl)ethyl]formamide

• ChemBase ID: 189040
• Molecular Formular: C16H16N2O
• Molecular Mass: 252.31104
• Monoisotopic Mass: 252.12626314
• SMILES: n1(c2c(c3c1cccc3)cc(cc2)C(NC=O)C)C
• Canonical SMILES: O=CNC(c1ccc2c(c1)c1ccccc1n2C)C
• InChI: InChI=1S/C16H16N2O/c1-11(17-10-19)12-7-8-16-14(9-12)13-5-3-4-6-15(13)18(16)2/h3-11H,1-2H3,(H,17,19)
• InChIKey: MZGWQJLTGTXKBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(9-methyl-9H-carbazol-3-yl)ethyl]formamide
• IUPAC Traditional name: N-[1-(9-methylcarbazol-3-yl)ethyl]formamide

Database IDs

• PubChem SID: 164244950
• PubChem CID: 3040771

CALCULATED PROPERTIES

• Acid pKa: 16.23558
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6270528
• LogD (pH = 7.4): 2.627053
• Log P: 2.627053
• Molar Refractivity: 76.2144 cm^3
• Polarizability: 31.642576 Å^3
• Polar Surface Area: 34.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Rotamers
• Classification: Rare Derivatives of Natural Compounds