1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid

C20H26N2O4 — CID 120539430

IUPAC1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CC1C(=O)Nc1cccc(C(=O)N(C)C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C20H26N2O4/c1-13-11-16(13)17(23)21-15-8-6-7-14(12-15)18(24)22(2)20(19(25)26)9-4-3-5-10-20/h6-8,12-13,16H,3-5,9-11H2,1-2H3,(H,21,23)(H,25,26)
InChIKeyKWTQAIFKKUYOBP-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.14
Rot. Bonds5

About 1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid

1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120539430) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120539430
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CC1C(=O)Nc1cccc(C(=O)N(C)C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C20H26N2O4/c1-13-11-16(13)17(23)21-15-8-6-7-14(12-15)18(24)22(2)20(19(25)26)9-4-3-5-10-20/h6-8,12-13,16H,3-5,9-11H2,1-2H3,(H,21,23)(H,25,26)
InChIKeyKWTQAIFKKUYOBP-UHFFFAOYSA-N
XLogP3.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 71941988
1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97023036
2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136391
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate
CID 55670750
N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 87012107
3-[ethyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid
CID 119190959
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
1-[methyl-(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 120539896
N-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 78866235
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120890173
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid (CID 120539430) is 1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid is CC1CC1C(=O)Nc1cccc(C(=O)N(C)C2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is KWTQAIFKKUYOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13-11-16(13)17(23)21-15-8-6-7-14(12-15)18(24)22(2)20(19(25)26)9-4-3-5-10-20/h6-8,12-13,16H,3-5,9-11H2,1-2H3,(H,21,23)(H,25,26).
What are the key properties of 1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid?
1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 358.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).