N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]acetamide

• ChemBase ID: 197122
• Molecular Formular: C20H27NO3
• Molecular Mass: 329.43328
• Monoisotopic Mass: 329.19909373
• SMILES: N(C(=O)C)(CCC(c1occc1)C(C)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC(c1ccco1)C(C)C
• InChI: InChI=1S/C20H27NO3/c1-15(2)19(20-6-5-13-24-20)11-12-21(16(3)22)14-17-7-9-18(23-4)10-8-17/h5-10,13,15,19H,11-12,14H2,1-4H3
• InChIKey: MQTLLSQUGQJODV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]acetamide
• IUPAC Traditional name: N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]acetamide

Database IDs

• PubChem SID: 164253032
• PubChem CID: 5214072

CALCULATED PROPERTIES

• Log P: 3.4424684
• Molar Refractivity: 95.4698 cm^3
• Polarizability: 37.08047 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.442468
• LogD (pH = 7.4): 3.4424684

PROPERTIES

Product Information

• Description: 2 Diastereomers
• Classification: Derivatives & analogs of Natural Compounds