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

C27H30N2O4 — CID 3196704

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

N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 3196704) 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-[(4-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
• PubChem CID: 3196704
• Molecular Formula: C27H30N2O4
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.22
• IUPAC Name: N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
• SMILES: COc1cccc(C(C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccco2)c1
• InChI: InChI=1S/C27H30N2O4/c1-19-12-14-20(15-13-19)18-29(27(31)24-11-6-16-33-24)25(21-7-5-10-23(17-21)32-2)26(30)28-22-8-3-4-9-22/h5-7,10-17,22,25H,3-4,8-9,18H2,1-2H3,(H,28,30)
• InChIKey: BNIIPVZHDUUOMJ-UHFFFAOYSA-N
• XLogP: 5.04
• 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	5.04
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-[(4-methylphenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide (CID 3196704) is N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide is COc1cccc(C(C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccco2)c1.

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

The InChIKey is BNIIPVZHDUUOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-19-12-14-20(15-13-19)18-29(27(31)24-11-6-16-33-24)25(21-7-5-10-23(17-21)32-2)26(30)28-22-8-3-4-9-22/h5-7,10-17,22,25H,3-4,8-9,18H2,1-2H3,(H,28,30).

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

N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 5.04, 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-[(4-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 3196704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).