N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide

C17H22N2O3 — CID 3859114

IUPACN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNC2=CC(=O)CC(C)(C)C2)cc1
InChIInChI=1S/C17H22N2O3/c1-17(2)10-13(9-14(20)11-17)18-19-16(21)8-12-4-6-15(22-3)7-5-12/h4-7,9,18H,8,10-11H2,1-3H3,(H,19,21)
InChIKeyPDJBVGRVWZONAG-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.13
Rot. Bonds5

About N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide

N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide (PubChem CID 3859114) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide.

Molecular Properties

Compound NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide
PubChem CID3859114
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNC2=CC(=O)CC(C)(C)C2)cc1
InChIInChI=1S/C17H22N2O3/c1-17(2)10-13(9-14(20)11-17)18-19-16(21)8-12-4-6-15(22-3)7-5-12/h4-7,9,18H,8,10-11H2,1-3H3,(H,19,21)
InChIKeyPDJBVGRVWZONAG-UHFFFAOYSA-N
XLogP2.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxyphenyl)-N'-(4-methoxyphenyl)acetohydrazide
CID 86181946
2-[1-hydroxy-2-(4-methoxyphenyl)ethylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 170984767
2-(4-methoxyphenyl)-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]acetohydrazide
CID 18284769
2-(4-methoxyphenyl)-N-pyrrolidin-1-ylacetamide
CID 22146742
4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 795496
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3-hydroxybenzohydrazide
CID 725493
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide
CID 113337518
N'-[2-(4-methoxyphenyl)acetyl]cyclohexanecarbohydrazide
CID 965816
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
N'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide
CID 4087275
N-[1-(4-ethylphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4247577

Frequently Asked Questions

What is the IUPAC name of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide?
The IUPAC name of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide (CID 3859114) is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide.
What is the SMILES notation for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide?
The canonical SMILES for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide is COc1ccc(CC(=O)NNC2=CC(=O)CC(C)(C)C2)cc1.
What is the InChIKey of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide?
The InChIKey is PDJBVGRVWZONAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(2)10-13(9-14(20)11-17)18-19-16(21)8-12-4-6-15(22-3)7-5-12/h4-7,9,18H,8,10-11H2,1-3H3,(H,19,21).
What are the key properties of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide?
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide has a molecular weight of 302.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide is sourced from PubChem (CID 3859114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).