[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate

C17H22N2O4 — CID 5419986

IUPAC[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(/C=N\NC(=O)C2CCCCC2)ccc1OC(C)=O
InChIInChI=1S/C17H22N2O4/c1-12(20)23-15-9-8-13(10-16(15)22-2)11-18-19-17(21)14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,19,21)/b18-11-
InChIKeyYODGXESDDZDJKJ-WQRHYEAKSA-N
MW318.37 g/mol
LogP2.65
Rot. Bonds5

About [4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate

[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate (PubChem CID 5419986) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate
PubChem CID5419986
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(/C=N\NC(=O)C2CCCCC2)ccc1OC(C)=O
InChIInChI=1S/C17H22N2O4/c1-12(20)23-15-9-8-13(10-16(15)22-2)11-18-19-17(21)14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,19,21)/b18-11-
InChIKeyYODGXESDDZDJKJ-WQRHYEAKSA-N
XLogP2.65
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9234824
[4-[(E)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 51061045
[2-methoxy-4-[(Z)-[[(1R,2S)-2-phenylcyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] acetate
CID 7434611
[4-[(Z)-[(3,4-dimethoxyphenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 9216189
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 6113811
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate
CID 169383112
[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 6323018
methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate
CID 6020609
[4-[[(2-iodobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 1008577
[2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate
CID 932190
[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate
CID 4619738
1-cyclohexyl-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 717820

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate (CID 5419986) is [4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate is COc1cc(/C=N\NC(=O)C2CCCCC2)ccc1OC(C)=O.
What is the InChIKey of [4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate?
The InChIKey is YODGXESDDZDJKJ-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12(20)23-15-9-8-13(10-16(15)22-2)11-18-19-17(21)14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,19,21)/b18-11-.
What are the key properties of [4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate?
[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate has a molecular weight of 318.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 5419986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).