2-amino-N-(4-ethylcyclohexyl)benzamide

• ChemBase ID: 312346
• Molecular Formular: C15H22N2O
• Molecular Mass: 246.34798
• Monoisotopic Mass: 246.17321333
• SMILES: C(=O)(c1c(N)cccc1)NC1CCC(CC1)CC
• Canonical SMILES: CCC1CCC(CC1)NC(=O)c1ccccc1N
• InChI: InChI=1S/C15H22N2O/c1-2-11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)16/h3-6,11-12H,2,7-10,16H2,1H3,(H,17,18)
• InChIKey: CYBTYBZKJORUFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(4-ethylcyclohexyl)benzamide
• IUPAC Traditional name: 2-amino-N-(4-ethylcyclohexyl)benzamide
• Synonyms: 2-amino-N-(4-ethylcyclohexyl)benzamide

Database IDs

• CAS Number: 915923-16-9
• MDL Number: MFCD08691906

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.398503
• LogD (pH = 7.4): 3.399482
• Log P: 3.3994944
• Molar Refractivity: 74.8973 cm^3
• Polarizability: 28.306303 Å^3
• Polar Surface Area: 55.12 Å^2