N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide

C28H35NO5 — CID 21046909

About N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide

N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide (PubChem CID 21046909) has the molecular formula C28H35NO5 and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide
• PubChem CID: 21046909
• Molecular Formula: C28H35NO5
• Molecular Weight: 465.59 g/mol
• Exact Mass: 465.25
• IUPAC Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide
• SMILES: CCC(C)(C)c1ccc(OC)c(Cc2ccc(C(=O)NCCc3cc(OC)ccc3OC)o2)c1
• InChI: InChI=1S/C28H35NO5/c1-7-28(2,3)21-8-11-25(33-6)20(16-21)18-23-10-13-26(34-23)27(30)29-15-14-19-17-22(31-4)9-12-24(19)32-5/h8-13,16-17H,7,14-15,18H2,1-6H3,(H,29,30)
• InChIKey: VOVDMCRLMZADMS-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 69.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.59
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide?

The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide (CID 21046909) is N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide?

The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide is CCC(C)(C)c1ccc(OC)c(Cc2ccc(C(=O)NCCc3cc(OC)ccc3OC)o2)c1.

What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide?

The InChIKey is VOVDMCRLMZADMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO5/c1-7-28(2,3)21-8-11-25(33-6)20(16-21)18-23-10-13-26(34-23)27(30)29-15-14-19-17-22(31-4)9-12-24(19)32-5/h8-13,16-17H,7,14-15,18H2,1-6H3,(H,29,30).

What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide?

N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 465.59 g/mol, XLogP of 5.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 21046909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).