N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-1-hydroxy-3,3-dimethylcyclohexane-1-carboxamide

C18H23N3O4 — CID 126821136

IUPACN-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-1-hydroxy-3,3-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCC(O)(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)C1
InChIInChI=1S/C18H23N3O4/c1-17(2)7-4-8-18(25,11-17)15(23)20-12-5-3-6-13(9-12)21-14(22)10-19-16(21)24/h3,5-6,9,25H,4,7-8,10-11H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyDMYFJGDYOKBLLJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.01
Rot. Bonds3

About N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-1-hydroxy-3,3-dimethylcyclohexane-1-carboxamide

N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-1-hydroxy-3,3-dimethylcyclohexane-1-carboxamide (PubChem CID 126821136) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-1-hydroxy-3,3-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-1-hydroxy-3,3-dimethylcyclohexane-1-carboxamide
PubChem CID126821136
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-1-hydroxy-3,3-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCC(O)(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)C1
InChIInChI=1S/C18H23N3O4/c1-17(2)7-4-8-18(25,11-17)15(23)20-12-5-3-6-13(9-12)21-14(22)10-19-16(21)24/h3,5-6,9,25H,4,7-8,10-11H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyDMYFJGDYOKBLLJ-UHFFFAOYSA-N
XLogP2.01
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 63122188
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CID 71882904
5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 166190072
3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione
CID 11435994
3-hydroxy-N-(3-methylphenyl)piperidine-3-carboxamide
CID 84726978
1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide
CID 119809530
4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 120939642
N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 42959580
3-[3-(7-carboxy-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonan-3-yl)phenyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
CID 102140806
1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857471
1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119692813
N-(3-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide
CID 63130122

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-1-hydroxy-3,3-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-1-hydroxy-3,3-dimethylcyclohexane-1-carboxamide (CID 126821136) is N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-1-hydroxy-3,3-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-1-hydroxy-3,3-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-1-hydroxy-3,3-dimethylcyclohexane-1-carboxamide is CC1(C)CCCC(O)(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)C1.
What is the InChIKey of N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-1-hydroxy-3,3-dimethylcyclohexane-1-carboxamide?
The InChIKey is DMYFJGDYOKBLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-17(2)7-4-8-18(25,11-17)15(23)20-12-5-3-6-13(9-12)21-14(22)10-19-16(21)24/h3,5-6,9,25H,4,7-8,10-11H2,1-2H3,(H,19,24)(H,20,23).
What are the key properties of N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-1-hydroxy-3,3-dimethylcyclohexane-1-carboxamide?
N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-1-hydroxy-3,3-dimethylcyclohexane-1-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-1-hydroxy-3,3-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 126821136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).