N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide

C26H30N2O4 — CID 3191433

About N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide

N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide (PubChem CID 3191433) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide
• PubChem CID: 3191433
• Molecular Formula: C26H30N2O4
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.22
• IUPAC Name: N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide
• SMILES: Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(C)c(C)c2)o1
• InChI: InChI=1S/C26H30N2O4/c1-17-11-13-21(16-18(17)2)28(26(30)23-10-7-15-31-23)24(22-14-12-19(3)32-22)25(29)27-20-8-5-4-6-9-20/h7,10-16,20,24H,4-6,8-9H2,1-3H3,(H,27,29)
• InChIKey: AVVGETJCUYJYKS-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 75.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide?

The IUPAC name of N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide (CID 3191433) is N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide.

What is the SMILES notation for N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide?

The canonical SMILES for N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide is Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(C)c(C)c2)o1.

What is the InChIKey of N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide?

The InChIKey is AVVGETJCUYJYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-17-11-13-21(16-18(17)2)28(26(30)23-10-7-15-31-23)24(22-14-12-19(3)32-22)25(29)27-20-8-5-4-6-9-20/h7,10-16,20,24H,4-6,8-9H2,1-3H3,(H,27,29).

What are the key properties of N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide?

N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3191433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).