(1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide

C17H15N3O2 — CID 6293273

IUPAC(1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide
SMILESCOc1ccc(C(=O)/C(C#N)=N\Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H15N3O2/c1-12-3-7-14(8-4-12)19-20-16(11-18)17(21)13-5-9-15(22-2)10-6-13/h3-10,19H,1-2H3/b20-16-
InChIKeyURVFGBHCECOTBA-SILNSSARSA-N
MW293.33 g/mol
LogP3.18
Rot. Bonds5

About (1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide

(1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide (PubChem CID 6293273) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide
PubChem CID6293273
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide
SMILESCOc1ccc(C(=O)/C(C#N)=N\Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H15N3O2/c1-12-3-7-14(8-4-12)19-20-16(11-18)17(21)13-5-9-15(22-2)10-6-13/h3-10,19H,1-2H3/b20-16-
InChIKeyURVFGBHCECOTBA-SILNSSARSA-N
XLogP3.18
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-(4-methoxyphenyl)-N-(3-methylanilino)-2-oxoethanimidoyl cyanide
CID 6537844
methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 5361255
ethyl (2E)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 6880876
ethyl (2Z)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 5417584
N-(2,6-dichloroanilino)-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide
CID 830587
(1E)-N-(2-chloroanilino)-2-(4-methylphenyl)-2-oxoethanimidoyl cyanide
CID 5410483
(1E)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyanilino)-2-oxoethanimidoyl cyanide
CID 72723211
(1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride
CID 90158450
(1E)-2-(4-chlorophenyl)-N-(3-methylanilino)-2-oxoethanimidoyl cyanide
CID 5410446
(2E)-3-(4-methoxyphenyl)imino-2-[(4-methylphenyl)hydrazinylidene]-1-phenylbutan-1-one
CID 11315148
(1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide
CID 5368595
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide (CID 6293273) is (1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide is COc1ccc(C(=O)/C(C#N)=N\Nc2ccc(C)cc2)cc1.
What is the InChIKey of (1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide?
The InChIKey is URVFGBHCECOTBA-SILNSSARSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-3-7-14(8-4-12)19-20-16(11-18)17(21)13-5-9-15(22-2)10-6-13/h3-10,19H,1-2H3/b20-16-.
What are the key properties of (1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide?
(1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide has a molecular weight of 293.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 6293273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).