N-(9-ethyl-9H-carbazol-3-yl)-3-oxobutanamide

• ChemBase ID: 311423
• Molecular Formular: C18H18N2O2
• Molecular Mass: 294.34772
• Monoisotopic Mass: 294.13682783
• SMILES: n1(c2c(c3c1cccc3)cc(NC(=O)CC(=O)C)cc2)CC
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)NC(=O)CC(=O)C
• InChI: InChI=1S/C18H18N2O2/c1-3-20-16-7-5-4-6-14(16)15-11-13(8-9-17(15)20)19-18(22)10-12(2)21/h4-9,11H,3,10H2,1-2H3,(H,19,22)
• InChIKey: YHLQJWXBCLATEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(9-ethyl-9H-carbazol-3-yl)-3-oxobutanamide
• IUPAC Traditional name: N-(9-ethylcarbazol-3-yl)-3-oxobutanamide
• Synonyms: N-(9-ethyl-9H-carbazol-3-yl)-3-oxobutanamide

Database IDs

• CAS Number: 331713-74-7
• MDL Number: MFCD01077276

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.130931
• LogD (pH = 7.4): 3.130682
• Log P: 3.130934
• Molar Refractivity: 87.8757 cm^3
• Polarizability: 35.330055 Å^3
• Polar Surface Area: 51.1 Å^2