3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide

C16H23N3O2 — CID 63044315

IUPAC3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C16H23N3O2/c1-10-6-7-12(15(20)18-2)9-14(10)19-16(21)11-4-3-5-13(17)8-11/h6-7,9,11,13H,3-5,8,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPGGCRZGPBHNISF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.81
Rot. Bonds3

About 3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide

3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide (PubChem CID 63044315) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide
PubChem CID63044315
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C16H23N3O2/c1-10-6-7-12(15(20)18-2)9-14(10)19-16(21)11-4-3-5-13(17)8-11/h6-7,9,11,13H,3-5,8,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPGGCRZGPBHNISF-UHFFFAOYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide
CID 119712024
N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 63043939
3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide
CID 119714004
3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119726113
3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119725765
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
N-[2-methyl-5-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982103
3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide
CID 79730916
N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 119707704
3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 66031082

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide (CID 63044315) is 3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NC(=O)C2CCCC(N)C2)c1.
What is the InChIKey of 3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide?
The InChIKey is PGGCRZGPBHNISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-6-7-12(15(20)18-2)9-14(10)19-16(21)11-4-3-5-13(17)8-11/h6-7,9,11,13H,3-5,8,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide?
3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide is sourced from PubChem (CID 63044315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).