2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate

C18H16N3O5- — CID 8897867

IUPAC2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
SMILESCOc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(C)c2)cc1C(=O)[O-]
InChIInChI=1S/C18H17N3O5/c1-11-4-3-5-13(8-11)20-16(22)17(23)21-19-10-12-6-7-15(26-2)14(9-12)18(24)25/h3-10H,1-2H3,(H,20,22)(H,21,23)(H,24,25)/p-1/b19-10-
InChIKeyMTDWYWBINOZQAH-GRSHGNNSSA-M
MW354.34 g/mol
LogP0.46
Rot. Bonds5

About 2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate

2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate (PubChem CID 8897867) has the molecular formula C18H16N3O5- and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
PubChem CID8897867
Molecular FormulaC18H16N3O5-
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
SMILESCOc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(C)c2)cc1C(=O)[O-]
InChIInChI=1S/C18H17N3O5/c1-11-4-3-5-13(8-11)20-16(22)17(23)21-19-10-12-6-7-15(26-2)14(9-12)18(24)25/h3-10H,1-2H3,(H,20,22)(H,21,23)(H,24,25)/p-1/b19-10-
InChIKeyMTDWYWBINOZQAH-GRSHGNNSSA-M
XLogP0.46
TPSA119.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate with MolForge

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Related Compounds

N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8900943
2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 8897815
N'-[(Z)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126166310
N'-(benzylideneamino)-N-(3-methylphenyl)oxamide
CID 4143039
N-(2,6-dimethylphenyl)-N'-[(Z)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126277139
5-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxybenzoic acid
CID 8897925
[2-methoxy-4-[(Z)-[[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6310638
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 51060495
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8932255
5-[(Z)-[[2-(3-chloro-4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxybenzoate
CID 8897563
N'-[(3,4-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)oxamide
CID 5078309
N-(3-methylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988901

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of 2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate (CID 8897867) is 2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for 2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate is COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(C)c2)cc1C(=O)[O-].
What is the InChIKey of 2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is MTDWYWBINOZQAH-GRSHGNNSSA-M. The full InChI is InChI=1S/C18H17N3O5/c1-11-4-3-5-13(8-11)20-16(22)17(23)21-19-10-12-6-7-15(26-2)14(9-12)18(24)25/h3-10H,1-2H3,(H,20,22)(H,21,23)(H,24,25)/p-1/b19-10-.
What are the key properties of 2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 354.34 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 8897867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).