3-amino-N-benzyl-N-methylpropanamide

• ChemBase ID: 267496
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(N(Cc1ccccc1)C)CCN
• Canonical SMILES: NCCC(=O)N(Cc1ccccc1)C
• InChI: InChI=1S/C11H16N2O/c1-13(11(14)7-8-12)9-10-5-3-2-4-6-10/h2-6H,7-9,12H2,1H3
• InChIKey: WCDCXEADXDPSLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-benzyl-N-methylpropanamide
• IUPAC Traditional name: 3-amino-N-benzyl-N-methylpropanamide
• Synonyms: 3-amino-N-benzyl-N-methylpropanamide

Database IDs

• MDL Number: MFCD09726138
• PubChem SID: 164323406
• PubChem CID: 20117962

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4796317
• LogD (pH = 7.4): -1.256894
• Log P: 0.45441982
• Molar Refractivity: 56.931 cm^3
• Polarizability: 22.272627 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.786

Product Information

• Purity: 95%