N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide

C21H28N2O3 — CID 108959402

IUPACN-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C21H28N2O3/c1-15(24)17-9-11-18(12-10-17)23-20(26)21(2,3)19(25)22-14-13-16-7-5-4-6-8-16/h7,9-12H,4-6,8,13-14H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyQGCIOJVSJDRBLN-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.86
Rot. Bonds7

About N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide

N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108959402) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108959402
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C21H28N2O3/c1-15(24)17-9-11-18(12-10-17)23-20(26)21(2,3)19(25)22-14-13-16-7-5-4-6-8-16/h7,9-12H,4-6,8,13-14H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyQGCIOJVSJDRBLN-UHFFFAOYSA-N
XLogP3.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959378
ethyl 4-[[3-[2-(cyclohexen-1-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108959419
4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045058
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
(E)-N'-(4-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylbut-2-enediamide
CID 110832360
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108959319
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108959365
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide
CID 108957378
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108959420
N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108958156
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108959301
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264692

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide (CID 108959402) is N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide is CC(=O)c1ccc(NC(=O)C(C)(C)C(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is QGCIOJVSJDRBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15(24)17-9-11-18(12-10-17)23-20(26)21(2,3)19(25)22-14-13-16-7-5-4-6-8-16/h7,9-12H,4-6,8,13-14H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide?
N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 356.47 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108959402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).