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

• ChemBase ID: 189157
• Molecular Formular: C17H18N2O
• Molecular Mass: 266.33762
• Monoisotopic Mass: 266.14191321
• SMILES: n1(c2c(c3c1cccc3)cc(cc2)C(NC=O)C)CC
• Canonical SMILES: O=CNC(c1ccc2c(c1)c1ccccc1n2CC)C
• InChI: InChI=1S/C17H18N2O/c1-3-19-16-7-5-4-6-14(16)15-10-13(8-9-17(15)19)12(2)18-11-20/h4-12H,3H2,1-2H3,(H,18,20)
• InChIKey: YUCFQWHWDZHHFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164245067
• PubChem CID: 40577

CALCULATED PROPERTIES

• Acid pKa: 16.267292
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9838607
• LogD (pH = 7.4): 2.983861
• Log P: 2.983861
• Molar Refractivity: 80.963 cm^3
• Polarizability: 33.489338 Å^3
• Polar Surface Area: 34.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds