1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid

C18H23N3O4 — CID 120540235

IUPAC1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)c1ccc(N2CCNC2=O)cc1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C18H23N3O4/c1-20(18(16(23)24)9-3-2-4-10-18)15(22)13-5-7-14(8-6-13)21-12-11-19-17(21)25/h5-8H,2-4,9-12H2,1H3,(H,19,25)(H,23,24)
InChIKeyJQQIIDRHMKWQID-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.08
Rot. Bonds4

About 1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid

1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120540235) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120540235
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)c1ccc(N2CCNC2=O)cc1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C18H23N3O4/c1-20(18(16(23)24)9-3-2-4-10-18)15(22)13-5-7-14(8-6-13)21-12-11-19-17(21)25/h5-8H,2-4,9-12H2,1H3,(H,19,25)(H,23,24)
InChIKeyJQQIIDRHMKWQID-UHFFFAOYSA-N
XLogP2.08
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-iodobenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539598
1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120539085
N-cyclooctyl-N-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
CID 75368967
1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539383
2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119205713
1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120540079
1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539554
1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539772
1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539358
N-ethyl-4-(2-oxoimidazolidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 51299130
2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid
CID 23154771
1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539733

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid (CID 120540235) is 1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid is CN(C(=O)c1ccc(N2CCNC2=O)cc1)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is JQQIIDRHMKWQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-20(18(16(23)24)9-3-2-4-10-18)15(22)13-5-7-14(8-6-13)21-12-11-19-17(21)25/h5-8H,2-4,9-12H2,1H3,(H,19,25)(H,23,24).
What are the key properties of 1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?
1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120540235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).