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

C27H33NO4 — CID 21046209

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

5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 21046209) has the molecular formula C27H33NO4 and a molecular weight of 435.56 g/mol. Its IUPAC name is 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]furan-2-carboxamide
• PubChem CID: 21046209
• Molecular Formula: C27H33NO4
• Molecular Weight: 435.56 g/mol
• Exact Mass: 435.24
• IUPAC Name: 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]furan-2-carboxamide
• SMILES: CCC(C)(C)c1ccc(OC)c(Cc2ccc(C(=O)NCCc3ccccc3OC)o2)c1
• InChI: InChI=1S/C27H33NO4/c1-6-27(2,3)21-11-13-24(31-5)20(17-21)18-22-12-14-25(32-22)26(29)28-16-15-19-9-7-8-10-23(19)30-4/h7-14,17H,6,15-16,18H2,1-5H3,(H,28,29)
• InChIKey: NFYJXYZVZDHWLB-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 60.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.56
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]furan-2-carboxamide (CID 21046209) is 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]furan-2-carboxamide.

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

The canonical SMILES for 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]furan-2-carboxamide is CCC(C)(C)c1ccc(OC)c(Cc2ccc(C(=O)NCCc3ccccc3OC)o2)c1.

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

The InChIKey is NFYJXYZVZDHWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO4/c1-6-27(2,3)21-11-13-24(31-5)20(17-21)18-22-12-14-25(32-22)26(29)28-16-15-19-9-7-8-10-23(19)30-4/h7-14,17H,6,15-16,18H2,1-5H3,(H,28,29).

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

5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 435.56 g/mol, XLogP of 5.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 21046209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).