N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide

C29H34N2O3 — CID 3196958

About N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide

N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide (PubChem CID 3196958) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide
• PubChem CID: 3196958
• Molecular Formula: C29H34N2O3
• Molecular Weight: 458.60 g/mol
• Exact Mass: 458.26
• IUPAC Name: N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide
• SMILES: CCc1ccc(C(C(=O)NC2CCCC2)N(CCc2ccccc2C)C(=O)c2ccco2)cc1
• InChI: InChI=1S/C29H34N2O3/c1-3-22-14-16-24(17-15-22)27(28(32)30-25-11-6-7-12-25)31(29(33)26-13-8-20-34-26)19-18-23-10-5-4-9-21(23)2/h4-5,8-10,13-17,20,25,27H,3,6-7,11-12,18-19H2,1-2H3,(H,30,32)
• InChIKey: RNVKBENBOHFRJU-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.60
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide?

The IUPAC name of N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide (CID 3196958) is N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide is CCc1ccc(C(C(=O)NC2CCCC2)N(CCc2ccccc2C)C(=O)c2ccco2)cc1.

What is the InChIKey of N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide?

The InChIKey is RNVKBENBOHFRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-3-22-14-16-24(17-15-22)27(28(32)30-25-11-6-7-12-25)31(29(33)26-13-8-20-34-26)19-18-23-10-5-4-9-21(23)2/h4-5,8-10,13-17,20,25,27H,3,6-7,11-12,18-19H2,1-2H3,(H,30,32).

What are the key properties of N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide?

N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 458.60 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 3196958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).