N-(furan-2-ylmethyl)-N-[3-(4-methoxyphenyl)-4-methylpentyl]propanamide

• ChemBase ID: 194127
• Molecular Formular: C21H29NO3
• Molecular Mass: 343.45986
• Monoisotopic Mass: 343.21474379
• SMILES: N(C(=O)CC)(Cc1occc1)CCC(c1ccc(cc1)OC)C(C)C
• Canonical SMILES: CCC(=O)N(Cc1ccco1)CCC(c1ccc(cc1)OC)C(C)C
• InChI: InChI=1S/C21H29NO3/c1-5-21(23)22(15-19-7-6-14-25-19)13-12-20(16(2)3)17-8-10-18(24-4)11-9-17/h6-11,14,16,20H,5,12-13,15H2,1-4H3
• InChIKey: YOUTXFCSFJUFOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-N-[3-(4-methoxyphenyl)-4-methylpentyl]propanamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-N-[3-(4-methoxyphenyl)-4-methylpentyl]propanamide

Database IDs

• PubChem SID: 164250037
• PubChem CID: 3699472

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2209573
• LogD (pH = 7.4): 4.2209578
• Log P: 4.2209578
• Molar Refractivity: 100.0197 cm^3
• Polarizability: 38.923477 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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