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

C30H24N4O6 — CID 45054922

IUPAC[2-methoxy-4-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C30H24N4O6/c1-39-26-18-20(16-17-25(26)40-30(38)21-10-4-2-5-11-21)19-31-34-29(37)28(36)33-24-15-9-8-14-23(24)27(35)32-22-12-6-3-7-13-22/h2-19H,1H3,(H,32,35)(H,33,36)(H,34,37)/b31-19+
InChIKeyRENXLVHSKGGWDV-ZCTHSVRISA-N
MW536.54 g/mol
LogP4.26
Rot. Bonds8

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

[2-methoxy-4-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate (PubChem CID 45054922) has the molecular formula C30H24N4O6 and a molecular weight of 536.54 g/mol. Its IUPAC name is [2-methoxy-4-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[2-methoxy-4-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
PubChem CID45054922
Molecular FormulaC30H24N4O6
Molecular Weight536.54 g/mol
Exact Mass536.17
IUPAC Name[2-methoxy-4-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C30H24N4O6/c1-39-26-18-20(16-17-25(26)40-30(38)21-10-4-2-5-11-21)19-31-34-29(37)28(36)33-24-15-9-8-14-23(24)27(35)32-22-12-6-3-7-13-22/h2-19H,1H3,(H,32,35)(H,33,36)(H,34,37)/b31-19+
InChIKeyRENXLVHSKGGWDV-ZCTHSVRISA-N
XLogP4.26
TPSA135.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.54
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [2-methoxy-4-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate (CID 45054922) is [2-methoxy-4-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [2-methoxy-4-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [2-methoxy-4-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)ccc1OC(=O)c1ccccc1.
What is the InChIKey of [2-methoxy-4-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is RENXLVHSKGGWDV-ZCTHSVRISA-N. The full InChI is InChI=1S/C30H24N4O6/c1-39-26-18-20(16-17-25(26)40-30(38)21-10-4-2-5-11-21)19-31-34-29(37)28(36)33-24-15-9-8-14-23(24)27(35)32-22-12-6-3-7-13-22/h2-19H,1H3,(H,32,35)(H,33,36)(H,34,37)/b31-19+.
What are the key properties of [2-methoxy-4-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate?
[2-methoxy-4-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 536.54 g/mol, XLogP of 4.26, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(E)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 45054922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).