N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide

C28H32N2O3 — CID 3196979

About N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide

N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide (PubChem CID 3196979) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide
• PubChem CID: 3196979
• Molecular Formula: C28H32N2O3
• Molecular Weight: 444.58 g/mol
• Exact Mass: 444.24
• IUPAC Name: N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide
• SMILES: Cc1ccc(C(C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)cc1
• InChI: InChI=1S/C28H32N2O3/c1-20-12-14-23(15-13-20)26(27(31)29-24-9-3-4-10-24)30(28(32)25-11-6-18-33-25)17-16-22-8-5-7-21(2)19-22/h5-8,11-15,18-19,24,26H,3-4,9-10,16-17H2,1-2H3,(H,29,31)
• InChIKey: QKXKZOJFBHXPEA-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.58
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide?

The IUPAC name of N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide (CID 3196979) is N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide is Cc1ccc(C(C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)cc1.

What is the InChIKey of N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide?

The InChIKey is QKXKZOJFBHXPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-20-12-14-23(15-13-20)26(27(31)29-24-9-3-4-10-24)30(28(32)25-11-6-18-33-25)17-16-22-8-5-7-21(2)19-22/h5-8,11-15,18-19,24,26H,3-4,9-10,16-17H2,1-2H3,(H,29,31).

What are the key properties of N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide?

N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 5.38, 8 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-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 3196979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).