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

C28H32N2O5 — CID 25311325

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

N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 25311325) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
• PubChem CID: 25311325
• Molecular Formula: C28H32N2O5
• Molecular Weight: 476.57 g/mol
• Exact Mass: 476.23
• IUPAC Name: N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
• SMILES: COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2OC)C(=O)c2ccco2)cc1
• InChI: InChI=1S/C28H32N2O5/c1-33-23-16-14-20(15-17-23)26(27(31)29-22-10-4-3-5-11-22)30(28(32)25-13-8-18-35-25)19-21-9-6-7-12-24(21)34-2/h6-9,12-18,22,26H,3-5,10-11,19H2,1-2H3,(H,29,31)/t26-/m0/s1
• InChIKey: FCUZGXPMMDSHOI-SANMLTNESA-N
• XLogP: 5.13
• TPSA: 81.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.57
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (CID 25311325) is N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2OC)C(=O)c2ccco2)cc1.

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

The InChIKey is FCUZGXPMMDSHOI-SANMLTNESA-N. The full InChI is InChI=1S/C28H32N2O5/c1-33-23-16-14-20(15-17-23)26(27(31)29-22-10-4-3-5-11-22)30(28(32)25-13-8-18-35-25)19-21-9-6-7-12-24(21)34-2/h6-9,12-18,22,26H,3-5,10-11,19H2,1-2H3,(H,29,31)/t26-/m0/s1.

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

N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 476.57 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 25311325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).