N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide

C26H28N2O3 — CID 7145267

About N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 7145267) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
• PubChem CID: 7145267
• Molecular Formula: C26H28N2O3
• Molecular Weight: 416.52 g/mol
• Exact Mass: 416.21
• IUPAC Name: N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
• SMILES: Cc1ccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1
• InChI: InChI=1S/C26H28N2O3/c1-19-13-15-20(16-14-19)18-28(26(30)23-12-7-17-31-23)24(21-8-3-2-4-9-21)25(29)27-22-10-5-6-11-22/h2-4,7-9,12-17,22,24H,5-6,10-11,18H2,1H3,(H,27,29)/t24-/m0/s1
• InChIKey: YSRDYPUOGNNEAT-DEOSSOPVSA-N
• XLogP: 5.03
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.52
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide (CID 7145267) is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide is Cc1ccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1.

What is the InChIKey of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?

The InChIKey is YSRDYPUOGNNEAT-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-19-13-15-20(16-14-19)18-28(26(30)23-12-7-17-31-23)24(21-8-3-2-4-9-21)25(29)27-22-10-5-6-11-22/h2-4,7-9,12-17,22,24H,5-6,10-11,18H2,1H3,(H,27,29)/t24-/m0/s1.

What are the key properties of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 7145267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).