2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid

C18H17N3O6 — CID 8897815

IUPAC2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
SMILESCOc1cccc(NC(=O)C(=O)N/N=C\c2ccc(OC)c(C(=O)O)c2)c1
InChIInChI=1S/C18H17N3O6/c1-26-13-5-3-4-12(9-13)20-16(22)17(23)21-19-10-11-6-7-15(27-2)14(8-11)18(24)25/h3-10H,1-2H3,(H,20,22)(H,21,23)(H,24,25)/b19-10-
InChIKeyUDTFFORRPNMGFF-GRSHGNNSSA-N
MW371.35 g/mol
LogP1.49
Rot. Bonds6

About 2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid

2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 8897815) has the molecular formula C18H17N3O6 and a molecular weight of 371.35 g/mol. Its IUPAC name is 2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
PubChem CID8897815
Molecular FormulaC18H17N3O6
Molecular Weight371.35 g/mol
Exact Mass371.11
IUPAC Name2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
SMILESCOc1cccc(NC(=O)C(=O)N/N=C\c2ccc(OC)c(C(=O)O)c2)c1
InChIInChI=1S/C18H17N3O6/c1-26-13-5-3-4-12(9-13)20-16(22)17(23)21-19-10-11-6-7-15(27-2)14(8-11)18(24)25/h3-10H,1-2H3,(H,20,22)(H,21,23)(H,24,25)/b19-10-
InChIKeyUDTFFORRPNMGFF-GRSHGNNSSA-N
XLogP1.49
TPSA126.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
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-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 8897867
5-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxybenzoic acid
CID 8897925
2-ethoxy-5-[(Z)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 8897787
N'-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 137022058
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 136704523
2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 8897566
N-(3-chloro-4-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]oxamide
CID 4060161
5-[(Z)-[[2-(3,4-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxybenzoic acid
CID 8897558
[2-methoxy-4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-methoxybenzoate
CID 19659419
[4-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 51060665
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8900943
1-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 9256691

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid (CID 8897815) is 2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid is COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(OC)c(C(=O)O)c2)c1.
What is the InChIKey of 2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is UDTFFORRPNMGFF-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H17N3O6/c1-26-13-5-3-4-12(9-13)20-16(22)17(23)21-19-10-11-6-7-15(27-2)14(8-11)18(24)25/h3-10H,1-2H3,(H,20,22)(H,21,23)(H,24,25)/b19-10-.
What are the key properties of 2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid?
2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 371.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 8897815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).