N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

C29H34N2O6 — CID 25311473

About N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 25311473) has the molecular formula C29H34N2O6 and a molecular weight of 506.60 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
• PubChem CID: 25311473
• Molecular Formula: C29H34N2O6
• Molecular Weight: 506.60 g/mol
• Exact Mass: 506.24
• IUPAC Name: N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
• SMILES: COc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)c(OC)c2)cc1
• InChI: InChI=1S/C29H34N2O6/c1-34-23-14-11-20(12-15-23)19-31(29(33)25-10-7-17-37-25)27(28(32)30-22-8-5-4-6-9-22)21-13-16-24(35-2)26(18-21)36-3/h7,10-18,22,27H,4-6,8-9,19H2,1-3H3,(H,30,32)/t27-/m1/s1
• InChIKey: QRINLUCCUXVGLB-HHHXNRCGSA-N
• XLogP: 5.14
• TPSA: 90.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.60
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (CID 25311473) is N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)c(OC)c2)cc1.

What is the InChIKey of N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?

The InChIKey is QRINLUCCUXVGLB-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H34N2O6/c1-34-23-14-11-20(12-15-23)19-31(29(33)25-10-7-17-37-25)27(28(32)30-22-8-5-4-6-9-22)21-13-16-24(35-2)26(18-21)36-3/h7,10-18,22,27H,4-6,8-9,19H2,1-3H3,(H,30,32)/t27-/m1/s1.

What are the key properties of N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?

N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 506.60 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 25311473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).