N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide

C27H30N2O4 — CID 3196667

About N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide

N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide (PubChem CID 3196667) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide
• PubChem CID: 3196667
• Molecular Formula: C27H30N2O4
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.22
• IUPAC Name: N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide
• SMILES: CCc1ccccc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccc(OC)c1
• InChI: InChI=1S/C27H30N2O4/c1-3-19-10-4-7-15-23(19)29(27(31)24-16-9-17-33-24)25(20-11-8-14-22(18-20)32-2)26(30)28-21-12-5-6-13-21/h4,7-11,14-18,21,25H,3,5-6,12-13H2,1-2H3,(H,28,30)
• InChIKey: GWFHFOPBHABNOV-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.55
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide (CID 3196667) is N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide.

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

The canonical SMILES for N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide is CCc1ccccc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccc(OC)c1.

What is the InChIKey of N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide?

The InChIKey is GWFHFOPBHABNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-3-19-10-4-7-15-23(19)29(27(31)24-16-9-17-33-24)25(20-11-8-14-22(18-20)32-2)26(30)28-21-12-5-6-13-21/h4,7-11,14-18,21,25H,3,5-6,12-13H2,1-2H3,(H,28,30).

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

N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3196667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).