N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide

C25H28N2O4 — CID 3196367

About N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide

N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide (PubChem CID 3196367) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide
• PubChem CID: 3196367
• Molecular Formula: C25H28N2O4
• Molecular Weight: 420.51 g/mol
• Exact Mass: 420.20
• IUPAC Name: N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide
• SMILES: Cc1cccc(CCN(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccco2)c1
• InChI: InChI=1S/C25H28N2O4/c1-18-7-4-8-19(17-18)13-14-27(25(29)22-12-6-16-31-22)23(21-11-5-15-30-21)24(28)26-20-9-2-3-10-20/h4-8,11-12,15-17,20,23H,2-3,9-10,13-14H2,1H3,(H,26,28)
• InChIKey: XSNWCMJWAHOJME-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 75.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.51
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide (CID 3196367) is N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide.

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

The canonical SMILES for N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide is Cc1cccc(CCN(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccco2)c1.

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

The InChIKey is XSNWCMJWAHOJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-18-7-4-8-19(17-18)13-14-27(25(29)22-12-6-16-31-22)23(21-11-5-15-30-21)24(28)26-20-9-2-3-10-20/h4-8,11-12,15-17,20,23H,2-3,9-10,13-14H2,1H3,(H,26,28).

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

N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.67, 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-(furan-2-yl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 3196367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).