N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide

C27H29FN2O4 — CID 25311867

About N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide

N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 25311867) has the molecular formula C27H29FN2O4 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide
• PubChem CID: 25311867
• Molecular Formula: C27H29FN2O4
• Molecular Weight: 464.54 g/mol
• Exact Mass: 464.21
• IUPAC Name: N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide
• SMILES: CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1
• InChI: InChI=1S/C27H29FN2O4/c1-2-33-21-16-14-19(15-17-21)25(26(31)29-20-9-4-3-5-10-20)30(23-12-7-6-11-22(23)28)27(32)24-13-8-18-34-24/h6-8,11-18,20,25H,2-5,9-10H2,1H3,(H,29,31)/t25-/m1/s1
• InChIKey: UJMSHCPGBNWRDI-RUZDIDTESA-N
• XLogP: 5.65
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.54
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide?

The IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide (CID 25311867) is N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide.

What is the SMILES notation for N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide?

The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide is CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1.

What is the InChIKey of N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide?

The InChIKey is UJMSHCPGBNWRDI-RUZDIDTESA-N. The full InChI is InChI=1S/C27H29FN2O4/c1-2-33-21-16-14-19(15-17-21)25(26(31)29-20-9-4-3-5-10-20)30(23-12-7-6-11-22(23)28)27(32)24-13-8-18-34-24/h6-8,11-18,20,25H,2-5,9-10H2,1H3,(H,29,31)/t25-/m1/s1.

What are the key properties of N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide?

N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 25311867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).