2-amino-N-cyclohexyl-N-methylbenzamide

• ChemBase ID: 21560
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: C(=O)(c1c(N)cccc1)N(C1CCCCC1)C
• Canonical SMILES: CN(C(=O)c1ccccc1N)C1CCCCC1
• InChI: InChI=1S/C14H20N2O/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15/h5-6,9-11H,2-4,7-8,15H2,1H3
• InChIKey: HRHAAZQULBGFAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclohexyl-N-methylbenzamide
• IUPAC Traditional name: 2-amino-N-cyclohexyl-N-methylbenzamide
• Synonyms: 2-Amino-N-cyclohexyl-N-methylbenzamide

Database IDs

• MDL Number: MFCD01929085
• PubChem SID: 160984867
• PubChem CID: 845302

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8905334
• LogD (pH = 7.4): 2.8915696
• Log P: 2.8915827
• Molar Refractivity: 70.6444 cm^3
• Polarizability: 26.462776 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): 1.921

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%