3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide

C19H28N2O2 — CID 134057675

IUPAC3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)CC1
InChIInChI=1S/C19H28N2O2/c1-13-8-10-15(11-9-13)20-17(22)14-6-5-7-16(12-14)21-18(23)19(2,3)4/h5-7,12-13,15H,8-11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyBZJAZCCMONDVTB-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.98
Rot. Bonds3

About 3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide

3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide (PubChem CID 134057675) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide
PubChem CID134057675
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)CC1
InChIInChI=1S/C19H28N2O2/c1-13-8-10-15(11-9-13)20-17(22)14-6-5-7-16(12-14)21-18(23)19(2,3)4/h5-7,12-13,15H,8-11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyBZJAZCCMONDVTB-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559
3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 46419714
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide (CID 134057675) is 3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide is CC1CCC(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)CC1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide?
The InChIKey is BZJAZCCMONDVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13-8-10-15(11-9-13)20-17(22)14-6-5-7-16(12-14)21-18(23)19(2,3)4/h5-7,12-13,15H,8-11H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide?
3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide has a molecular weight of 316.45 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 134057675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).