5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide

C18H22N2O3 — CID 136636420

IUPAC5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)[nH]c(Cc2ccccc2)c1O
InChIInChI=1S/C18H22N2O3/c21-16-14(11-12-7-3-1-4-8-12)20-18(23)15(16)17(22)19-13-9-5-2-6-10-13/h1,3-4,7-8,13,20-21,23H,2,5-6,9-11H2,(H,19,22)
InChIKeyXPBPYOOAOIPBPJ-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.08
Rot. Bonds4

About 5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide

5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide (PubChem CID 136636420) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide
PubChem CID136636420
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)[nH]c(Cc2ccccc2)c1O
InChIInChI=1S/C18H22N2O3/c21-16-14(11-12-7-3-1-4-8-12)20-18(23)15(16)17(22)19-13-9-5-2-6-10-13/h1,3-4,7-8,13,20-21,23H,2,5-6,9-11H2,(H,19,22)
InChIKeyXPBPYOOAOIPBPJ-UHFFFAOYSA-N
XLogP3.08
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide
CID 91356775
1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
CID 66522623
2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid
CID 114199766
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
4-benzyl-N-cyclopropylbenzamide
CID 45086871
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
N-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide
CID 91158203
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137355
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
CID 7250949

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide (CID 136636420) is 5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide is O=C(NC1CCCCC1)c1c(O)[nH]c(Cc2ccccc2)c1O.
What is the InChIKey of 5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide?
The InChIKey is XPBPYOOAOIPBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-16-14(11-12-7-3-1-4-8-12)20-18(23)15(16)17(22)19-13-9-5-2-6-10-13/h1,3-4,7-8,13,20-21,23H,2,5-6,9-11H2,(H,19,22).
What are the key properties of 5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide?
5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 136636420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).