N-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide

C18H23N3O3 — CID 3386613

IUPACN-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NNC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C18H23N3O3/c1-12(19-17(24)13-7-5-4-6-8-13)16(23)21-20-14-9-15(22)11-18(2,3)10-14/h4-9,12,20H,10-11H2,1-3H3,(H,19,24)(H,21,23)
InChIKeyAQAJISKGPATINN-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.70
Rot. Bonds5

About N-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide

N-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide (PubChem CID 3386613) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide
PubChem CID3386613
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NNC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C18H23N3O3/c1-12(19-17(24)13-7-5-4-6-8-13)16(23)21-20-14-9-15(22)11-18(2,3)10-14/h4-9,12,20H,10-11H2,1-3H3,(H,19,24)(H,21,23)
InChIKeyAQAJISKGPATINN-UHFFFAOYSA-N
XLogP1.70
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide 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'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-nitrobenzohydrazide
CID 4013981
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide
CID 71491154
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653
N-[(2S)-1-[8-[[(2S)-2-benzamidopropanoyl]amino]octylamino]-1-oxopropan-2-yl]benzamide
CID 71491217
N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 65315325
N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide
CID 134387048
N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide
CID 115628431
N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide
CID 55343312
N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 18280098

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide (CID 3386613) is N-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)NNC1=CC(=O)CC(C)(C)C1.
What is the InChIKey of N-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide?
The InChIKey is AQAJISKGPATINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(19-17(24)13-7-5-4-6-8-13)16(23)21-20-14-9-15(22)11-18(2,3)10-14/h4-9,12,20H,10-11H2,1-3H3,(H,19,24)(H,21,23).
What are the key properties of N-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide?
N-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 3386613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).