N-[2-[[2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide

C28H33N3O5 — CID 3211555

About N-[2-[[2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211555) has the molecular formula C28H33N3O5 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 3211555
• Molecular Formula: C28H33N3O5
• Molecular Weight: 491.59 g/mol
• Exact Mass: 491.24
• IUPAC Name: N-[2-[[2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
• SMILES: CC(C)c1ccc(C(C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)CNC(=O)c2ccco2)cc1
• InChI: InChI=1S/C28H33N3O5/c1-19(2)20-11-13-21(14-12-20)26(28(34)30-22-7-3-4-8-22)31(18-23-9-5-15-35-23)25(32)17-29-27(33)24-10-6-16-36-24/h5-6,9-16,19,22,26H,3-4,7-8,17-18H2,1-2H3,(H,29,33)(H,30,34)
• InChIKey: XMJZHYMKHOAVIZ-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 104.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.59
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 3211555) is N-[2-[[2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide.

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

The canonical SMILES for N-[2-[[2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide is CC(C)c1ccc(C(C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)CNC(=O)c2ccco2)cc1.

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

The InChIKey is XMJZHYMKHOAVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5/c1-19(2)20-11-13-21(14-12-20)26(28(34)30-22-7-3-4-8-22)31(18-23-9-5-15-35-23)25(32)17-29-27(33)24-10-6-16-36-24/h5-6,9-16,19,22,26H,3-4,7-8,17-18H2,1-2H3,(H,29,33)(H,30,34).

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

N-[2-[[2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).