ethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate

C16H21N3O3 — CID 166063206

IUPACethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate
SMILESCCOC(=O)C(C=O)NNc1ccc2c(ccn2C(C)C)c1
InChIInChI=1S/C16H21N3O3/c1-4-22-16(21)14(10-20)18-17-13-5-6-15-12(9-13)7-8-19(15)11(2)3/h5-11,14,17-18H,4H2,1-3H3
InChIKeyVELRZOSCLOFLOV-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.27
Rot. Bonds7

About ethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate

ethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate (PubChem CID 166063206) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate.

Molecular Properties

Compound Nameethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate
PubChem CID166063206
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Nameethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate
SMILESCCOC(=O)C(C=O)NNc1ccc2c(ccn2C(C)C)c1
InChIInChI=1S/C16H21N3O3/c1-4-22-16(21)14(10-20)18-17-13-5-6-15-12(9-13)7-8-19(15)11(2)3/h5-11,14,17-18H,4H2,1-3H3
InChIKeyVELRZOSCLOFLOV-UHFFFAOYSA-N
XLogP2.27
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate 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

5-butan-2-yl-1-propan-2-ylindole
CID 135200251
ethyl 2-(5-bromoindol-1-yl)pentanoate
CID 113345781
ethyl 2-(4-chloroanilino)-3-oxopropanoate
CID 87962411
ethyl 6-amino-5-cyano-2-methyl-4-(1-propan-2-ylindol-5-yl)-4H-pyran-3-carboxylate
CID 169391909
ethyl 5-(1-propan-2-ylindol-6-yl)-2H-triazole-4-carboxylate
CID 169400838
5-(1-propan-2-ylindol-5-yl)-2H-triazole-4-carboxamide
CID 169403832
2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol
CID 115114963
ethyl 2-(5,6-difluoroindol-1-yl)-2-hydroxyacetate
CID 138975833
(2R)-2-(2-ethoxyethoxy)-N-(1-ethylindol-5-yl)propanamide
CID 94389998
2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate
CID 110831037
2-(5-ethylindol-1-yl)-N-(4-ethylphenyl)propanamide
CID 110831139
5-iodo-1-propan-2-ylindole
CID 135396038

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate?
The IUPAC name of ethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate (CID 166063206) is ethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate.
What is the SMILES notation for ethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate?
The canonical SMILES for ethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate is CCOC(=O)C(C=O)NNc1ccc2c(ccn2C(C)C)c1.
What is the InChIKey of ethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate?
The InChIKey is VELRZOSCLOFLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-22-16(21)14(10-20)18-17-13-5-6-15-12(9-13)7-8-19(15)11(2)3/h5-11,14,17-18H,4H2,1-3H3.
What are the key properties of ethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate?
ethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate has a molecular weight of 303.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-2-[2-(1-propan-2-ylindol-5-yl)hydrazinyl]propanoate is sourced from PubChem (CID 166063206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).