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

C20H26N2O4 — CID 55670750

IUPACmethyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cccc(NC(=O)C3CC3C)c2)CCCCC1
InChIInChI=1S/C20H26N2O4/c1-13-11-16(13)18(24)21-15-8-6-7-14(12-15)17(23)22-20(19(25)26-2)9-4-3-5-10-20/h6-8,12-13,16H,3-5,9-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQNGWMIYXGRBUQQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.89
Rot. Bonds5

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

methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate (PubChem CID 55670750) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate
PubChem CID55670750
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Namemethyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cccc(NC(=O)C3CC3C)c2)CCCCC1
InChIInChI=1S/C20H26N2O4/c1-13-11-16(13)18(24)21-15-8-6-7-14(12-15)17(23)22-20(19(25)26-2)9-4-3-5-10-20/h6-8,12-13,16H,3-5,9-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQNGWMIYXGRBUQQ-UHFFFAOYSA-N
XLogP2.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate 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
N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 87012107
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539430
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120890173
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
N-[2-(2-methoxyphenyl)ethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959283

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate (CID 55670750) is methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)c2cccc(NC(=O)C3CC3C)c2)CCCCC1.
What is the InChIKey of methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate?
The InChIKey is QNGWMIYXGRBUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13-11-16(13)18(24)21-15-8-6-7-14(12-15)17(23)22-20(19(25)26-2)9-4-3-5-10-20/h6-8,12-13,16H,3-5,9-11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 55670750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).