N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide

• ChemBase ID: 189149
• Molecular Formular: C26H31NO5
• Molecular Mass: 437.52804
• Monoisotopic Mass: 437.2202231
• SMILES: C(c1occc1)(c1c(OC)cccc1)CCN(C(=O)CC)Cc1cc(c(cc1)OC)OC
• Canonical SMILES: CCC(=O)N(Cc1ccc(c(c1)OC)OC)CCC(c1ccccc1OC)c1ccco1
• InChI: InChI=1S/C26H31NO5/c1-5-26(28)27(18-19-12-13-24(30-3)25(17-19)31-4)15-14-21(23-11-8-16-32-23)20-9-6-7-10-22(20)29-2/h6-13,16-17,21H,5,14-15,18H2,1-4H3
• InChIKey: UGYXBAYSSOBRDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
• IUPAC Traditional name: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide

Database IDs

• PubChem SID: 164245059
• PubChem CID: 3757241

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.2298775
• LogD (pH = 7.4): 4.229878
• Log P: 4.229878
• Molar Refractivity: 123.9685 cm^3
• Polarizability: 48.0263 Å^3
• Polar Surface Area: 61.14 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Rotamers
• Classification: Derivatives & analogs of Natural Compounds