[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate

C20H23NO4 — CID 3220227

IUPAC[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate
SMILESCc1ccc(C(OC(=O)c2ccco2)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H23NO4/c1-14-9-11-15(12-10-14)18(25-20(23)17-8-5-13-24-17)19(22)21-16-6-3-2-4-7-16/h5,8-13,16,18H,2-4,6-7H2,1H3,(H,21,22)
InChIKeyWZSYKRJEEMRGCR-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.94
Rot. Bonds5

About [2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate

[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate (PubChem CID 3220227) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate
PubChem CID3220227
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate
SMILESCc1ccc(C(OC(=O)c2ccco2)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H23NO4/c1-14-9-11-15(12-10-14)18(25-20(23)17-8-5-13-24-17)19(22)21-16-6-3-2-4-7-16/h5,8-13,16,18H,2-4,6-7H2,1H3,(H,21,22)
InChIKeyWZSYKRJEEMRGCR-UHFFFAOYSA-N
XLogP3.94
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate
CID 1455084
benzyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2341426
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2715190
2-[(Furan-2-ylmethyl)amino]-2-oxoethyl 3,4-dimethylbenzoate
CID 2715806
2-(Tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl furan-2-carboxylate
CID 3154015
Furan-2-carboxylic acid cyclohexylcarbamoyl-(2-fluoro-phenyl)-methyl ester
CID 3220312
Furan-2-carboxylic acid tert-butylcarbamoyl-(2-fluoro-phenyl)-methyl ester
CID 3220314
[2-Oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 5-methylfuran-2-carboxylate
CID 16305191
3-[3-(Furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoic acid
CID 16322402
4-[[[2-(Furan-2-carbonylamino)-3-methylbutanoyl]amino]methyl]benzoic acid
CID 16326233
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 24685929
Bis(2-benzamidoethyl) furan-2,5-dicarboxylate
CID 2927045

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate (CID 3220227) is [2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate is Cc1ccc(C(OC(=O)c2ccco2)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of [2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is WZSYKRJEEMRGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-9-11-15(12-10-14)18(25-20(23)17-8-5-13-24-17)19(22)21-16-6-3-2-4-7-16/h5,8-13,16,18H,2-4,6-7H2,1H3,(H,21,22).
What are the key properties of [2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate?
[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 3220227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).