[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate

C24H22N4O5 — CID 42970225

IUPAC[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H22N4O5/c1-32-21-10-6-5-9-20(21)24(31)25-15-23(30)33-16-22(29)26-17-11-13-19(14-12-17)28-27-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,25,31)(H,26,29)/b28-27+
InChIKeyQSQJTWINMFKGMQ-BYYHNAKLSA-N
MW446.46 g/mol
LogP4.02
Rot. Bonds9

About [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate

[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate (PubChem CID 42970225) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate
PubChem CID42970225
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H22N4O5/c1-32-21-10-6-5-9-20(21)24(31)25-15-23(30)33-16-22(29)26-17-11-13-19(14-12-17)28-27-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,25,31)(H,26,29)/b28-27+
InChIKeyQSQJTWINMFKGMQ-BYYHNAKLSA-N
XLogP4.02
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate 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-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 4655498
[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827656
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 4171404
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 55365939
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 3557006
N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26537380
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 42459667
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 30055669
2-(2-acetylphenoxy)-N-(4-phenyldiazenylphenyl)acetamide
CID 165365413
[2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
CID 7771051
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 35985498
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7522196

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate (CID 42970225) is [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate is COc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The InChIKey is QSQJTWINMFKGMQ-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-32-21-10-6-5-9-20(21)24(31)25-15-23(30)33-16-22(29)26-17-11-13-19(14-12-17)28-27-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,25,31)(H,26,29)/b28-27+.
What are the key properties of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate?
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate has a molecular weight of 446.46 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 42970225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).