2-amino-N-benzyl-N-cyclopropylbutanamide

• ChemBase ID: 242075
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: N(C(=O)C(N)CC)(C1CC1)Cc1ccccc1
• Canonical SMILES: CCC(C(=O)N(C1CC1)Cc1ccccc1)N
• InChI: InChI=1S/C14H20N2O/c1-2-13(15)14(17)16(12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10,15H2,1H3
• InChIKey: LUQMHLXUBRTTJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-benzyl-N-cyclopropylbutanamide
• IUPAC Traditional name: 2-amino-N-benzyl-N-cyclopropylbutanamide
• Synonyms: 2-amino-N-benzyl-N-cyclopropylbutanamide

Database IDs

• MDL Number: MFCD12104832
• PubChem SID: 164297985
• PubChem CID: 43649651

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.90941036
• LogD (pH = 7.4): 0.7005259
• Log P: 1.7742583
• Molar Refractivity: 68.4607 cm^3
• Polarizability: 27.072111 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.951

Product Information

• Purity: 95%