N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide

• ChemBase ID: 194255
• Molecular Formular: C30H35NO5
• Molecular Mass: 489.6026
• Monoisotopic Mass: 489.25152323
• SMILES: C(c1cc2c(OCO2)cc1)(c1c(OC)cccc1)CCN(C(=O)CC)Cc1ccc(OC(C)C)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)OC(C)C)CCC(c1ccccc1OC)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C30H35NO5/c1-5-30(32)31(19-22-10-13-24(14-11-22)36-21(2)3)17-16-25(26-8-6-7-9-27(26)33-4)23-12-15-28-29(18-23)35-20-34-28/h6-15,18,21,25H,5,16-17,19-20H2,1-4H3
• InChIKey: CXFUBSPPBCASNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide
• IUPAC Traditional name: N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-isopropoxyphenyl)methyl]propanamide

Database IDs

• PubChem SID: 164250165
• PubChem CID: 2921531

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.8018723
• LogD (pH = 7.4): 5.8018727
• Log P: 5.8018727
• Molar Refractivity: 139.9717 cm^3
• Polarizability: 54.791103 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds