[2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate

C31H26N4O7 — CID 4249535

IUPAC[2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccccc3)cc2OC)cc1
InChIInChI=1S/C31H26N4O7/c1-40-23-15-13-21(14-16-23)31(39)42-26-17-12-20(18-27(26)41-2)19-32-35-30(38)29(37)34-25-11-7-6-10-24(25)28(36)33-22-8-4-3-5-9-22/h3-19H,1-2H3,(H,33,36)(H,34,37)(H,35,38)
InChIKeyVSJNHFBJAUZZGW-UHFFFAOYSA-N
MW566.57 g/mol
LogP4.26
Rot. Bonds9

About [2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate

[2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate (PubChem CID 4249535) has the molecular formula C31H26N4O7 and a molecular weight of 566.57 g/mol. Its IUPAC name is [2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
PubChem CID4249535
Molecular FormulaC31H26N4O7
Molecular Weight566.57 g/mol
Exact Mass566.18
IUPAC Name[2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccccc3)cc2OC)cc1
InChIInChI=1S/C31H26N4O7/c1-40-23-15-13-21(14-16-23)31(39)42-26-17-12-20(18-27(26)41-2)19-32-35-30(38)29(37)34-25-11-7-6-10-24(25)28(36)33-22-8-4-3-5-9-22/h3-19H,1-2H3,(H,33,36)(H,34,37)(H,35,38)
InChIKeyVSJNHFBJAUZZGW-UHFFFAOYSA-N
XLogP4.26
TPSA144.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.57
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate 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-4-[(Z)-[[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6310638
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 92844365
[4-[[[2-[2-[(4-bromophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-butoxybenzoate
CID 4610655
[4-[(Z)-[[2-[2-[(4-methylphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6300034
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 51060495
methyl 4-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]benzoate
CID 92844354
[4-[[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 3871529
[2-methoxy-4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-methoxybenzoate
CID 19659419
[4-[[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 4225324
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6283140
[2-ethoxy-4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 4984769
[2-methoxy-4-[(Z)-[[2-(2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6186263

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
The IUPAC name of [2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate (CID 4249535) is [2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate.
What is the SMILES notation for [2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
The canonical SMILES for [2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccccc3)cc2OC)cc1.
What is the InChIKey of [2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
The InChIKey is VSJNHFBJAUZZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O7/c1-40-23-15-13-21(14-16-23)31(39)42-26-17-12-20(18-27(26)41-2)19-32-35-30(38)29(37)34-25-11-7-6-10-24(25)28(36)33-22-8-4-3-5-9-22/h3-19H,1-2H3,(H,33,36)(H,34,37)(H,35,38).
What are the key properties of [2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
[2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate has a molecular weight of 566.57 g/mol, XLogP of 4.26, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 4249535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).