(2Z)-2-(4,5-dimethyl-2-phenoxycyclohexa-1,4-dien-1-yl)-2-methoxyimino-N-methylacetamide

C18H22N2O3 — CID 20703089

IUPAC(2Z)-2-(4,5-dimethyl-2-phenoxycyclohexa-1,4-dien-1-yl)-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N\OC)C1=C(Oc2ccccc2)CC(C)=C(C)C1
InChIInChI=1S/C18H22N2O3/c1-12-10-15(17(20-22-4)18(21)19-3)16(11-13(12)2)23-14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3,(H,19,21)/b20-17-
InChIKeyGBZJBBMLOKIGOQ-JZJYNLBNSA-N
MW314.39 g/mol
LogP3.20
Rot. Bonds5

About (2Z)-2-(4,5-dimethyl-2-phenoxycyclohexa-1,4-dien-1-yl)-2-methoxyimino-N-methylacetamide

(2Z)-2-(4,5-dimethyl-2-phenoxycyclohexa-1,4-dien-1-yl)-2-methoxyimino-N-methylacetamide (PubChem CID 20703089) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2Z)-2-(4,5-dimethyl-2-phenoxycyclohexa-1,4-dien-1-yl)-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name(2Z)-2-(4,5-dimethyl-2-phenoxycyclohexa-1,4-dien-1-yl)-2-methoxyimino-N-methylacetamide
PubChem CID20703089
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name(2Z)-2-(4,5-dimethyl-2-phenoxycyclohexa-1,4-dien-1-yl)-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N\OC)C1=C(Oc2ccccc2)CC(C)=C(C)C1
InChIInChI=1S/C18H22N2O3/c1-12-10-15(17(20-22-4)18(21)19-3)16(11-13(12)2)23-14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3,(H,19,21)/b20-17-
InChIKeyGBZJBBMLOKIGOQ-JZJYNLBNSA-N
XLogP3.20
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2Z)-2-[4,5-dimethyl-2-[(6-phenoxy-2-pyridinyl)oxy]cyclohexa-1,4-dien-1-yl]-2-methoxyimino-N-methylacetamide
CID 20703088
(2Z)-2-[4,5-dimethyl-2-[(6-phenoxy-2-pyridinyl)oxy]cyclohexa-1,4-dien-1-yl]-2-methoxyimino-N-methylacetamide;ethane
CID 172960197
(2E)-2-[4,5-dimethyl-2-(2-phenylethynyl)cyclohexa-1,4-dien-1-yl]-2-methoxyimino-N-methylacetamide
CID 91426417
(2E)-2-[4,5-dimethyl-2-[2-(6-phenoxy-2-pyridinyl)ethynyl]cyclohexa-1,4-dien-1-yl]-2-methoxyimino-N-methylacetamide
CID 90808315
(2Z)-2-[4,5-dimethyl-2-(2-phenylethyl)cyclohexa-1,4-dien-1-yl]-2-methoxyimino-N-methylacetamide;ethane
CID 172964983
2-methoxyimino-N-methyl-2-[2-(4-phenoxyphenoxy)phenyl]acetamide
CID 54359900
(2E)-2-methoxyimino-N-methyl-2-phenylacetamide
CID 18413242
ethane;methyl (2Z)-2-(2-benzoyl-4,5-dimethylcyclohexa-1,4-dien-1-yl)-2-methoxyiminoacetate
CID 172929125
2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide
CID 54158947
ethane;methyl (2Z)-2-(4,5-dimethyl-2-phenylsulfanylcyclohexa-1,4-dien-1-yl)-2-methoxyiminoacetate
CID 172960304
methyl (2Z)-2-[4,5-dimethyl-2-[(Z)-2-phenylethenyl]cyclohexa-1,4-dien-1-yl]-2-methoxyiminoacetate
CID 59971944
2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide
CID 54137319

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4,5-dimethyl-2-phenoxycyclohexa-1,4-dien-1-yl)-2-methoxyimino-N-methylacetamide?
The IUPAC name of (2Z)-2-(4,5-dimethyl-2-phenoxycyclohexa-1,4-dien-1-yl)-2-methoxyimino-N-methylacetamide (CID 20703089) is (2Z)-2-(4,5-dimethyl-2-phenoxycyclohexa-1,4-dien-1-yl)-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for (2Z)-2-(4,5-dimethyl-2-phenoxycyclohexa-1,4-dien-1-yl)-2-methoxyimino-N-methylacetamide?
The canonical SMILES for (2Z)-2-(4,5-dimethyl-2-phenoxycyclohexa-1,4-dien-1-yl)-2-methoxyimino-N-methylacetamide is CNC(=O)/C(=N\OC)C1=C(Oc2ccccc2)CC(C)=C(C)C1.
What is the InChIKey of (2Z)-2-(4,5-dimethyl-2-phenoxycyclohexa-1,4-dien-1-yl)-2-methoxyimino-N-methylacetamide?
The InChIKey is GBZJBBMLOKIGOQ-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-10-15(17(20-22-4)18(21)19-3)16(11-13(12)2)23-14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3,(H,19,21)/b20-17-.
What are the key properties of (2Z)-2-(4,5-dimethyl-2-phenoxycyclohexa-1,4-dien-1-yl)-2-methoxyimino-N-methylacetamide?
(2Z)-2-(4,5-dimethyl-2-phenoxycyclohexa-1,4-dien-1-yl)-2-methoxyimino-N-methylacetamide has a molecular weight of 314.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4,5-dimethyl-2-phenoxycyclohexa-1,4-dien-1-yl)-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 20703089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).