N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide

C28H32N2O4 — CID 25311662

IUPACN-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide
SMILESCOc1cccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)c2ccco2)c1
InChIInChI=1S/C28H32N2O4/c1-33-24-15-8-12-22(20-24)26(27(31)29-23-13-6-3-7-14-23)30(28(32)25-16-9-19-34-25)18-17-21-10-4-2-5-11-21/h2,4-5,8-12,15-16,19-20,23,26H,3,6-7,13-14,17-18H2,1H3,(H,29,31)/t26-/m1/s1
InChIKeyISGOCKSTTOERAM-AREMUKBSSA-N
MW460.57 g/mol
LogP5.16
Rot. Bonds9

About N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide

N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide (PubChem CID 25311662) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide
PubChem CID25311662
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC NameN-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide
SMILESCOc1cccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)c2ccco2)c1
InChIInChI=1S/C28H32N2O4/c1-33-24-15-8-12-22(20-24)26(27(31)29-23-13-6-3-7-14-23)30(28(32)25-16-9-19-34-25)18-17-21-10-4-2-5-11-21/h2,4-5,8-12,15-16,19-20,23,26H,3,6-7,13-14,17-18H2,1H3,(H,29,31)/t26-/m1/s1
InChIKeyISGOCKSTTOERAM-AREMUKBSSA-N
XLogP5.16
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide with MolForge

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Related Compounds

N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 40965198
N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 3196704
N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3196980
N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 3196697
N-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211516
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3196479
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 6557954
N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide
CID 3196667
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide
CID 25311577
N-[2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 3191414
N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide
CID 3196979
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196708

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide?
The IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide (CID 25311662) is N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide is COc1cccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)c2ccco2)c1.
What is the InChIKey of N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide?
The InChIKey is ISGOCKSTTOERAM-AREMUKBSSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-33-24-15-8-12-22(20-24)26(27(31)29-23-13-6-3-7-14-23)30(28(32)25-16-9-19-34-25)18-17-21-10-4-2-5-11-21/h2,4-5,8-12,15-16,19-20,23,26H,3,6-7,13-14,17-18H2,1H3,(H,29,31)/t26-/m1/s1.
What are the key properties of N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide?
N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide has a molecular weight of 460.57 g/mol, XLogP of 5.16, 9 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-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 25311662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).