2-(3-aminophenyl)-N-cyclopropylacetamide

• ChemBase ID: 124471
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: C(=O)(NC1CC1)Cc1cc(N)ccc1
• Canonical SMILES: O=C(Cc1cccc(c1)N)NC1CC1
• InChI: InChI=1S/C11H14N2O/c12-9-3-1-2-8(6-9)7-11(14)13-10-4-5-10/h1-3,6,10H,4-5,7,12H2,(H,13,14)
• InChIKey: DMZDYILYWMVUFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-aminophenyl)-N-cyclopropylacetamide
• IUPAC Traditional name: 2-(3-aminophenyl)-N-cyclopropylacetamide
• Synonyms: 2-(3-aminophenyl)-N-cyclopropylacetamide

Database IDs

• PubChem SID: 162218824
• PubChem CID: 28689687

CALCULATED PROPERTIES

• Acid pKa: 15.871001
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6388079
• LogD (pH = 7.4): 0.6640347
• Log P: 0.6643661
• Molar Refractivity: 55.9961 cm^3
• Polarizability: 21.15154 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true