3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide

C19H25N3O3 — CID 44507596

IUPAC3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide
SMILESCC1=C(C/C=N/NC(=O)c2cccc(C(=O)NO)c2)C(C)(C)CCC1
InChIInChI=1S/C19H25N3O3/c1-13-6-5-10-19(2,3)16(13)9-11-20-21-17(23)14-7-4-8-15(12-14)18(24)22-25/h4,7-8,11-12,25H,5-6,9-10H2,1-3H3,(H,21,23)(H,22,24)/b20-11+
InChIKeyJAILHQLZLJLZRY-RGVLZGJSSA-N
MW343.43 g/mol
LogP3.44
Rot. Bonds5

About 3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide

3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide (PubChem CID 44507596) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide
PubChem CID44507596
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide
SMILESCC1=C(C/C=N/NC(=O)c2cccc(C(=O)NO)c2)C(C)(C)CCC1
InChIInChI=1S/C19H25N3O3/c1-13-6-5-10-19(2,3)16(13)9-11-20-21-17(23)14-7-4-8-15(12-14)18(24)22-25/h4,7-8,11-12,25H,5-6,9-10H2,1-3H3,(H,21,23)(H,22,24)/b20-11+
InChIKeyJAILHQLZLJLZRY-RGVLZGJSSA-N
XLogP3.44
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide 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

3-(2-benzylidenehydrazinecarbonyl)-N-hydroxybenzamide
CID 44507542
2,4-dimethyl-N-(phenacylideneamino)benzamide
CID 2431564
N'-[(1E)-3-phenylpropylidene]benzohydrazide
CID 9592741
N'-((1E)-2,2-dimethylpropylidene)benzohydrazide
CID 11564693
Benzoic acid, 2-(2-methylpropylidene)hydrazide
CID 112687
N'-[(E)-(4-tert-butylphenyl)methylidene]benzohydrazide
CID 9649292
4-N-[(E)-(4-tert-butylphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 145965282
N'-(2-Methylpropylidene)benzohydrazide
CID 9563269
N-[(E)-ethylideneamino]benzamide
CID 9574240
N-[(E)-benzylideneamino]-3-methylbenzamide
CID 9616462
N-[(E)-[(5E)-5-(benzoylhydrazinylidene)pentylidene]amino]benzamide
CID 145983682
N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide
CID 6020523

Frequently Asked Questions

What is the IUPAC name of 3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide (CID 44507596) is 3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide is CC1=C(C/C=N/NC(=O)c2cccc(C(=O)NO)c2)C(C)(C)CCC1.
What is the InChIKey of 3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide?
The InChIKey is JAILHQLZLJLZRY-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-6-5-10-19(2,3)16(13)9-11-20-21-17(23)14-7-4-8-15(12-14)18(24)22-25/h4,7-8,11-12,25H,5-6,9-10H2,1-3H3,(H,21,23)(H,22,24)/b20-11+.
What are the key properties of 3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide?
3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-hydroxy-1-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 44507596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).