[2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate

C22H25N3O5 — CID 17260653

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate
SMILESCc1cccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)c1C
InChIInChI=1S/C22H25N3O5/c1-15-8-6-11-18(16(15)2)23-20(27)14-30-21(28)13-7-12-19(26)24-25-22(29)17-9-4-3-5-10-17/h3-6,8-11H,7,12-14H2,1-2H3,(H,23,27)(H,24,26)(H,25,29)
InChIKeyMJGVEFQAFVICKG-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.42
Rot. Bonds8

About [2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate

[2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate (PubChem CID 17260653) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate
PubChem CID17260653
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate
SMILESCc1cccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)c1C
InChIInChI=1S/C22H25N3O5/c1-15-8-6-11-18(16(15)2)23-20(27)14-30-21(28)13-7-12-19(26)24-25-22(29)17-9-4-3-5-10-17/h3-6,8-11H,7,12-14H2,1-2H3,(H,23,27)(H,24,26)(H,25,29)
InChIKeyMJGVEFQAFVICKG-UHFFFAOYSA-N
XLogP2.42
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate 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-(3-chloroanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate
CID 17258404
[2-(4-methoxyphenyl)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate
CID 17261455
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2521687
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-(4-chloro-3-methylphenoxy)butanoate
CID 7199775
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-[4-(2,6-dimethylphenoxy)anilino]-4-oxobutanoate
CID 17259393
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2338088
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate
CID 7848039
[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067652
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 8855932
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840960
2-methoxyethyl 4-(2,3-dimethylanilino)-4-oxobutanoate
CID 17339093
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881567

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate (CID 17260653) is [2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate is Cc1cccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate?
The InChIKey is MJGVEFQAFVICKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-15-8-6-11-18(16(15)2)23-20(27)14-30-21(28)13-7-12-19(26)24-25-22(29)17-9-4-3-5-10-17/h3-6,8-11H,7,12-14H2,1-2H3,(H,23,27)(H,24,26)(H,25,29).
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate has a molecular weight of 411.46 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate is sourced from PubChem (CID 17260653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).