4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-N,N-diethylbenzamide

C19H26N2O2 — CID 17383278

IUPAC4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC2=CC(=O)CC(C)(C)C2)cc1
InChIInChI=1S/C19H26N2O2/c1-5-21(6-2)18(23)14-7-9-15(10-8-14)20-16-11-17(22)13-19(3,4)12-16/h7-11,20H,5-6,12-13H2,1-4H3
InChIKeyGEGFFHKURGUFGK-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.85
Rot. Bonds5

About 4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-N,N-diethylbenzamide

4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-N,N-diethylbenzamide (PubChem CID 17383278) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-N,N-diethylbenzamide
PubChem CID17383278
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC2=CC(=O)CC(C)(C)C2)cc1
InChIInChI=1S/C19H26N2O2/c1-5-21(6-2)18(23)14-7-9-15(10-8-14)20-16-11-17(22)13-19(3,4)12-16/h7-11,20H,5-6,12-13H2,1-4H3
InChIKeyGEGFFHKURGUFGK-UHFFFAOYSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzoate
CID 3308365
N,N-diethyl-4-(2-methylpropylamino)benzamide
CID 102002843
3-(3,4-difluoroanilino)-5,5-dimethylcyclohex-2-en-1-one
CID 872800
4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684141
N-[4-(diethylcarbamoyl)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 78710241
N,N-diethyl-4-[(5-nitropyrimidin-2-yl)amino]benzamide
CID 133467286
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
N,N-diethyl-4-[[2-(1-hydroxycyclopentyl)acetyl]amino]benzamide
CID 111432194
ethyl N-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]carbamate
CID 5197333
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
4-[(2-aminoacetyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119268389

Frequently Asked Questions

What is the IUPAC name of 4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-N,N-diethylbenzamide (CID 17383278) is 4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC2=CC(=O)CC(C)(C)C2)cc1.
What is the InChIKey of 4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-N,N-diethylbenzamide?
The InChIKey is GEGFFHKURGUFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-5-21(6-2)18(23)14-7-9-15(10-8-14)20-16-11-17(22)13-19(3,4)12-16/h7-11,20H,5-6,12-13H2,1-4H3.
What are the key properties of 4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-N,N-diethylbenzamide?
4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-N,N-diethylbenzamide has a molecular weight of 314.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-N,N-diethylbenzamide is sourced from PubChem (CID 17383278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).