4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C17H21N3O4 — CID 120672792

IUPAC4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cccc(N3CCNC3=O)c2)CC1
InChIInChI=1S/C17H21N3O4/c21-15(11-4-6-12(7-5-11)16(22)23)19-13-2-1-3-14(10-13)20-9-8-18-17(20)24/h1-3,10-12H,4-9H2,(H,18,24)(H,19,21)(H,22,23)
InChIKeyXQWSSVYSGPRHLI-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.05
Rot. Bonds4

About 4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672792) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672792
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cccc(N3CCNC3=O)c2)CC1
InChIInChI=1S/C17H21N3O4/c21-15(11-4-6-12(7-5-11)16(22)23)19-13-2-1-3-14(10-13)20-9-8-18-17(20)24/h1-3,10-12H,4-9H2,(H,18,24)(H,19,21)(H,22,23)
InChIKeyXQWSSVYSGPRHLI-UHFFFAOYSA-N
XLogP2.05
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55717175
(2R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103795360
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
1-(2,4-difluorobenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-4-carboxamide
CID 55717016
1-benzyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 47069261
(2S,5R)-5-(aminomethyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]oxolane-2-carboxamide
CID 120787794
3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119809541
(2S,5R)-5-(aminomethyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120787793
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 107903731
3,4-difluoro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 110874016

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120672792) is 4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2cccc(N3CCNC3=O)c2)CC1.
What is the InChIKey of 4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is XQWSSVYSGPRHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-15(11-4-6-12(7-5-11)16(22)23)19-13-2-1-3-14(10-13)20-9-8-18-17(20)24/h1-3,10-12H,4-9H2,(H,18,24)(H,19,21)(H,22,23).
What are the key properties of 4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).