3-amino-4-methyl-N-propylbenzamide

• ChemBase ID: 308227
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(c1cc(c(cc1)C)N)NCCC
• Canonical SMILES: CCCNC(=O)c1ccc(c(c1)N)C
• InChI: InChI=1S/C11H16N2O/c1-3-6-13-11(14)9-5-4-8(2)10(12)7-9/h4-5,7H,3,6,12H2,1-2H3,(H,13,14)
• InChIKey: WKCKYTBTONLULO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-methyl-N-propylbenzamide
• IUPAC Traditional name: 3-amino-4-methyl-N-propylbenzamide
• Synonyms: 3-amino-4-methyl-N-propylbenzamide

Database IDs

• CAS Number: 76765-61-2
• MDL Number: MFCD09046070

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6092427
• LogD (pH = 7.4): 1.6113609
• Log P: 1.611388
• Molar Refractivity: 59.0473 cm^3
• Polarizability: 21.586693 Å^3
• Polar Surface Area: 55.12 Å^2