N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

C25H33N3O5 — CID 40783877

About N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 40783877) has the molecular formula C25H33N3O5 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 40783877
• Molecular Formula: C25H33N3O5
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.24
• IUPAC Name: N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
• SMILES: CCCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(OC)cc1
• InChI: InChI=1S/C25H33N3O5/c1-3-4-15-28(22(29)17-26-24(30)21-10-7-16-33-21)23(18-11-13-20(32-2)14-12-18)25(31)27-19-8-5-6-9-19/h7,10-14,16,19,23H,3-6,8-9,15,17H2,1-2H3,(H,26,30)(H,27,31)/t23-/m1/s1
• InChIKey: KXKJHRFLIAEMER-HSZRJFAPSA-N
• XLogP: 3.45
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 40783877) is N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is CCCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(OC)cc1.

What is the InChIKey of N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is KXKJHRFLIAEMER-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H33N3O5/c1-3-4-15-28(22(29)17-26-24(30)21-10-7-16-33-21)23(18-11-13-20(32-2)14-12-18)25(31)27-19-8-5-6-9-19/h7,10-14,16,19,23H,3-6,8-9,15,17H2,1-2H3,(H,26,30)(H,27,31)/t23-/m1/s1.

What are the key properties of N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide?

N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 3.45, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[butyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 40783877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).