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

C28H30N2O5 — CID 1441738

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

N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 1441738) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 1441738
• Molecular Formula: C28H30N2O5
• Molecular Weight: 474.56 g/mol
• Exact Mass: 474.22
• IUPAC Name: N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
• SMILES: COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccccc2C(C)=O)cc1
• InChI: InChI=1S/C28H30N2O5/c1-19(31)23-11-6-7-12-24(23)30(28(33)25-13-8-18-35-25)26(20-14-16-22(34-2)17-15-20)27(32)29-21-9-4-3-5-10-21/h6-8,11-18,21,26H,3-5,9-10H2,1-2H3,(H,29,32)/t26-/m1/s1
• InChIKey: UIEAMSKWDWGDPD-AREMUKBSSA-N
• XLogP: 5.33
• TPSA: 88.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.56
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide (CID 1441738) is N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide.

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

The canonical SMILES for N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide is COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccccc2C(C)=O)cc1.

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

The InChIKey is UIEAMSKWDWGDPD-AREMUKBSSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-19(31)23-11-6-7-12-24(23)30(28(33)25-13-8-18-35-25)26(20-14-16-22(34-2)17-15-20)27(32)29-21-9-4-3-5-10-21/h6-8,11-18,21,26H,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-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide?

N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 1441738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).