2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid

C24H26N4O8 — CID 71628364

IUPAC2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid
SMILESCOc1cc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(CC(=O)O)c(OC)c2)ccc1CC(=O)O
InChIInChI=1S/C24H26N4O8/c1-35-19-9-15(3-5-17(19)11-23(31)32)13-25-27-21(29)7-8-22(30)28-26-14-16-4-6-18(12-24(33)34)20(10-16)36-2/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/b25-13+,26-14+
InChIKeyXMXJUUYUFOMAJM-BKHCZYBLSA-N
MW498.49 g/mol
LogP1.34
Rot. Bonds13

About 2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid

2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid (PubChem CID 71628364) has the molecular formula C24H26N4O8 and a molecular weight of 498.49 g/mol. Its IUPAC name is 2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid
PubChem CID71628364
Molecular FormulaC24H26N4O8
Molecular Weight498.49 g/mol
Exact Mass498.18
IUPAC Name2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid
SMILESCOc1cc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(CC(=O)O)c(OC)c2)ccc1CC(=O)O
InChIInChI=1S/C24H26N4O8/c1-35-19-9-15(3-5-17(19)11-23(31)32)13-25-27-21(29)7-8-22(30)28-26-14-16-4-6-18(12-24(33)34)20(10-16)36-2/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/b25-13+,26-14+
InChIKeyXMXJUUYUFOMAJM-BKHCZYBLSA-N
XLogP1.34
TPSA175.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.49
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic 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

N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135757722
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pentanamide
CID 5381106
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 44506453
4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 2828255
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]hexanediamide
CID 6152520
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135684538
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 5047472
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide
CID 25004847

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid?
The IUPAC name of 2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid (CID 71628364) is 2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid is COc1cc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(CC(=O)O)c(OC)c2)ccc1CC(=O)O.
What is the InChIKey of 2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid?
The InChIKey is XMXJUUYUFOMAJM-BKHCZYBLSA-N. The full InChI is InChI=1S/C24H26N4O8/c1-35-19-9-15(3-5-17(19)11-23(31)32)13-25-27-21(29)7-8-22(30)28-26-14-16-4-6-18(12-24(33)34)20(10-16)36-2/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/b25-13+,26-14+.
What are the key properties of 2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid?
2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid has a molecular weight of 498.49 g/mol, XLogP of 1.34, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid is sourced from PubChem (CID 71628364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).