N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide

C26H34N2O3 — CID 7145221

About N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide

N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide (PubChem CID 7145221) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
• PubChem CID: 7145221
• Molecular Formula: C26H34N2O3
• Molecular Weight: 422.57 g/mol
• Exact Mass: 422.26
• IUPAC Name: N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
• SMILES: CC(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CCCC2)cc1
• InChI: InChI=1S/C26H34N2O3/c1-18(2)19-13-15-20(16-14-19)24(25(29)27-21-8-3-4-9-21)28(22-10-5-6-11-22)26(30)23-12-7-17-31-23/h7,12-18,21-22,24H,3-6,8-11H2,1-2H3,(H,27,29)/t24-/m1/s1
• InChIKey: RFNNOJLJOBVIQL-XMMPIXPASA-N
• XLogP: 5.59
• 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	422.57
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?

The IUPAC name of N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide (CID 7145221) is N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide.

What is the SMILES notation for N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?

The canonical SMILES for N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide is CC(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CCCC2)cc1.

What is the InChIKey of N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?

The InChIKey is RFNNOJLJOBVIQL-XMMPIXPASA-N. The full InChI is InChI=1S/C26H34N2O3/c1-18(2)19-13-15-20(16-14-19)24(25(29)27-21-8-3-4-9-21)28(22-10-5-6-11-22)26(30)23-12-7-17-31-23/h7,12-18,21-22,24H,3-6,8-11H2,1-2H3,(H,27,29)/t24-/m1/s1.

What are the key properties of N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?

N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 7145221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).