2-amino-N-cyclooctylbenzamide

• ChemBase ID: 312066
• Molecular Formular: C15H22N2O
• Molecular Mass: 246.34798
• Monoisotopic Mass: 246.17321333
• SMILES: C(=O)(c1c(N)cccc1)NC1CCCCCCC1
• Canonical SMILES: O=C(c1ccccc1N)NC1CCCCCCC1
• InChI: InChI=1S/C15H22N2O/c16-14-11-7-6-10-13(14)15(18)17-12-8-4-2-1-3-5-9-12/h6-7,10-12H,1-5,8-9,16H2,(H,17,18)
• InChIKey: NYLLPEVMDNPMNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclooctylbenzamide
• IUPAC Traditional name: 2-amino-N-cyclooctylbenzamide
• Synonyms: 2-amino-N-cyclooctylbenzamide

Database IDs

• CAS Number: 401589-18-2
• MDL Number: MFCD03015444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.555909
• LogD (pH = 7.4): 3.5570297
• Log P: 3.557044
• Molar Refractivity: 74.9497 cm^3
• Polarizability: 28.306303 Å^3
• Polar Surface Area: 55.12 Å^2