(1E)-N-(3-methoxyanilino)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxoethanimidoyl cyanide

C18H17N5O2 — CID 56692572

IUPAC(1E)-N-(3-methoxyanilino)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxoethanimidoyl cyanide
SMILESCOc1cccc(N/N=C(\C#N)C(=O)N/N=C/c2ccccc2C)c1
InChIInChI=1S/C18H17N5O2/c1-13-6-3-4-7-14(13)12-20-23-18(24)17(11-19)22-21-15-8-5-9-16(10-15)25-2/h3-10,12,21H,1-2H3,(H,23,24)/b20-12+,22-17+
InChIKeyZHZPQMXKJRCMDU-GQJSRYSASA-N
MW335.37 g/mol
LogP2.45
Rot. Bonds6

About (1E)-N-(3-methoxyanilino)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxoethanimidoyl cyanide

(1E)-N-(3-methoxyanilino)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxoethanimidoyl cyanide (PubChem CID 56692572) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is (1E)-N-(3-methoxyanilino)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Name(1E)-N-(3-methoxyanilino)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxoethanimidoyl cyanide
PubChem CID56692572
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name(1E)-N-(3-methoxyanilino)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxoethanimidoyl cyanide
SMILESCOc1cccc(N/N=C(\C#N)C(=O)N/N=C/c2ccccc2C)c1
InChIInChI=1S/C18H17N5O2/c1-13-6-3-4-7-14(13)12-20-23-18(24)17(11-19)22-21-15-8-5-9-16(10-15)25-2/h3-10,12,21H,1-2H3,(H,23,24)/b20-12+,22-17+
InChIKeyZHZPQMXKJRCMDU-GQJSRYSASA-N
XLogP2.45
TPSA98.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

[2-[[[2-(2,6-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-methoxybenzoate
CID 4097236
N-(2,6-dimethylphenyl)-N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126275106
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 136704523
N-(3-methoxyphenyl)-N'-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]oxamide
CID 51061271
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 135763557
methyl 2-cyano-2-[(3-ethoxyphenyl)hydrazinylidene]acetate
CID 829140
(1Z)-2-(4-methoxyphenyl)-N-(3-methylanilino)-2-oxoethanimidoyl cyanide
CID 6537844
(Z)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide
CID 108821409
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126277741
N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide
CID 5227321
ethyl (2E)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 6880876

Frequently Asked Questions

What is the IUPAC name of (1E)-N-(3-methoxyanilino)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxoethanimidoyl cyanide?
The IUPAC name of (1E)-N-(3-methoxyanilino)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxoethanimidoyl cyanide (CID 56692572) is (1E)-N-(3-methoxyanilino)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxoethanimidoyl cyanide.
What is the SMILES notation for (1E)-N-(3-methoxyanilino)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxoethanimidoyl cyanide?
The canonical SMILES for (1E)-N-(3-methoxyanilino)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxoethanimidoyl cyanide is COc1cccc(N/N=C(\C#N)C(=O)N/N=C/c2ccccc2C)c1.
What is the InChIKey of (1E)-N-(3-methoxyanilino)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxoethanimidoyl cyanide?
The InChIKey is ZHZPQMXKJRCMDU-GQJSRYSASA-N. The full InChI is InChI=1S/C18H17N5O2/c1-13-6-3-4-7-14(13)12-20-23-18(24)17(11-19)22-21-15-8-5-9-16(10-15)25-2/h3-10,12,21H,1-2H3,(H,23,24)/b20-12+,22-17+.
What are the key properties of (1E)-N-(3-methoxyanilino)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxoethanimidoyl cyanide?
(1E)-N-(3-methoxyanilino)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxoethanimidoyl cyanide has a molecular weight of 335.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-(3-methoxyanilino)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 56692572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).