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

C27H29FN2O4 — CID 25311731

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

N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 25311731) has the molecular formula C27H29FN2O4 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
• PubChem CID: 25311731
• Molecular Formula: C27H29FN2O4
• Molecular Weight: 464.54 g/mol
• Exact Mass: 464.21
• IUPAC Name: N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
• SMILES: COc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1
• InChI: InChI=1S/C27H29FN2O4/c1-33-23-15-9-19(10-16-23)18-30(27(32)24-8-5-17-34-24)25(20-11-13-21(28)14-12-20)26(31)29-22-6-3-2-4-7-22/h5,8-17,22,25H,2-4,6-7,18H2,1H3,(H,29,31)/t25-/m1/s1
• InChIKey: YCJGVSVEPHUWND-RUZDIDTESA-N
• XLogP: 5.26
• 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	5.26
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-fluorophenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (CID 25311731) is N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1.

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

The InChIKey is YCJGVSVEPHUWND-RUZDIDTESA-N. The full InChI is InChI=1S/C27H29FN2O4/c1-33-23-15-9-19(10-16-23)18-30(27(32)24-8-5-17-34-24)25(20-11-13-21(28)14-12-20)26(31)29-22-6-3-2-4-7-22/h5,8-17,22,25H,2-4,6-7,18H2,1H3,(H,29,31)/t25-/m1/s1.

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

N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 5.26, 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-fluorophenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 25311731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).