N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide

C16H20N2O2 — CID 5398187

IUPACN-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/N=C2/CC(=O)CC(C)(C)C2)c1
InChIInChI=1S/C16H20N2O2/c1-11-5-4-6-12(7-11)15(20)18-17-13-8-14(19)10-16(2,3)9-13/h4-7H,8-10H2,1-3H3,(H,18,20)/b17-13-
InChIKeyUSZWWBORSMBASD-LGMDPLHJSA-N
MW272.35 g/mol
LogP2.86
Rot. Bonds2

About N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide

N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide (PubChem CID 5398187) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide
PubChem CID5398187
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/N=C2/CC(=O)CC(C)(C)C2)c1
InChIInChI=1S/C16H20N2O2/c1-11-5-4-6-12(7-11)15(20)18-17-13-8-14(19)10-16(2,3)9-13/h4-7H,8-10H2,1-3H3,(H,18,20)/b17-13-
InChIKeyUSZWWBORSMBASD-LGMDPLHJSA-N
XLogP2.86
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]benzamide
CID 769816
N-(cyclododecylideneamino)-3-methylbenzamide
CID 4110960
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide
CID 5183767
N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-thiophen-2-yl-1H-indole-7-carboxamide
CID 7446150
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922595
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide
CID 968956
3,3-dimethyl-5-[(2,4,6-trichlorophenyl)hydrazinylidene]cyclohexan-1-one
CID 2313217
N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide
CID 6020523
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 62934469

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide?
The IUPAC name of N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide (CID 5398187) is N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide.
What is the SMILES notation for N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide?
The canonical SMILES for N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide is Cc1cccc(C(=O)N/N=C2/CC(=O)CC(C)(C)C2)c1.
What is the InChIKey of N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide?
The InChIKey is USZWWBORSMBASD-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-5-4-6-12(7-11)15(20)18-17-13-8-14(19)10-16(2,3)9-13/h4-7H,8-10H2,1-3H3,(H,18,20)/b17-13-.
What are the key properties of N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide?
N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide has a molecular weight of 272.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide is sourced from PubChem (CID 5398187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).