N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide

C24H25N3O5 — CID 3211389

About N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211389) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 3211389
• Molecular Formula: C24H25N3O5
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.18
• IUPAC Name: N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(NCC(=O)N(c1ccccc1)C(C(=O)NC1CCCC1)c1ccco1)c1ccco1
• InChI: InChI=1S/C24H25N3O5/c28-21(16-25-23(29)20-13-7-15-32-20)27(18-10-2-1-3-11-18)22(19-12-6-14-31-19)24(30)26-17-8-4-5-9-17/h1-3,6-7,10-15,17,22H,4-5,8-9,16H2,(H,25,29)(H,26,30)
• InChIKey: OCRLRECNUNRKRI-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 104.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide (CID 3211389) is N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide.

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

The canonical SMILES for N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(c1ccccc1)C(C(=O)NC1CCCC1)c1ccco1)c1ccco1.

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

The InChIKey is OCRLRECNUNRKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c28-21(16-25-23(29)20-13-7-15-32-20)27(18-10-2-1-3-11-18)22(19-12-6-14-31-19)24(30)26-17-8-4-5-9-17/h1-3,6-7,10-15,17,22H,4-5,8-9,16H2,(H,25,29)(H,26,30).

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

N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).