N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide

C28H30N2O4 — CID 25311136

About N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide

N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 25311136) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 25311136
• Molecular Formula: C28H30N2O4
• Molecular Weight: 458.56 g/mol
• Exact Mass: 458.22
• IUPAC Name: N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
• SMILES: CC(=O)c1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1
• InChI: InChI=1S/C28H30N2O4/c1-19-14-16-21(17-15-19)26(27(32)29-22-9-4-3-5-10-22)30(28(33)25-13-8-18-34-25)24-12-7-6-11-23(24)20(2)31/h6-8,11-18,22,26H,3-5,9-10H2,1-2H3,(H,29,32)/t26-/m1/s1
• InChIKey: JMFSCEIRDLKLPR-AREMUKBSSA-N
• XLogP: 5.63
• TPSA: 79.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.56
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide (CID 25311136) is N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide.

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

The canonical SMILES for N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide is CC(=O)c1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1.

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

The InChIKey is JMFSCEIRDLKLPR-AREMUKBSSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-19-14-16-21(17-15-19)26(27(32)29-22-9-4-3-5-10-22)30(28(33)25-13-8-18-34-25)24-12-7-6-11-23(24)20(2)31/h6-8,11-18,22,26H,3-5,9-10H2,1-2H3,(H,29,32)/t26-/m1/s1.

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

N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 25311136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).