N-[(1R)-2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide

C30H35N3O4 — CID 40784408

About N-[(1R)-2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide

N-[(1R)-2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 40784408) has the molecular formula C30H35N3O4 and a molecular weight of 501.63 g/mol. Its IUPAC name is N-[(1R)-2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
• PubChem CID: 40784408
• Molecular Formula: C30H35N3O4
• Molecular Weight: 501.63 g/mol
• Exact Mass: 501.26
• IUPAC Name: N-[(1R)-2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
• SMILES: Cc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1
• InChI: InChI=1S/C30H35N3O4/c1-22-8-10-23(11-9-22)21-33(30(35)27-7-4-18-37-27)28(29(34)31-25-5-2-3-6-25)24-12-14-26(15-13-24)32-16-19-36-20-17-32/h4,7-15,18,25,28H,2-3,5-6,16-17,19-21H2,1H3,(H,31,34)/t28-/m1/s1
• InChIKey: MVFGHMKKDQXDPT-MUUNZHRXSA-N
• XLogP: 4.87
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.63
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[(1R)-2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide (CID 40784408) is N-[(1R)-2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[(1R)-2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide is Cc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1.

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

The InChIKey is MVFGHMKKDQXDPT-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H35N3O4/c1-22-8-10-23(11-9-22)21-33(30(35)27-7-4-18-37-27)28(29(34)31-25-5-2-3-6-25)24-12-14-26(15-13-24)32-16-19-36-20-17-32/h4,7-15,18,25,28H,2-3,5-6,16-17,19-21H2,1H3,(H,31,34)/t28-/m1/s1.

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

N-[(1R)-2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 501.63 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 40784408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).