propan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate

C21H22N2O3 — CID 171483502

IUPACpropan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate
SMILESCC(C)OC(=O)Cc1[nH]c2ccccc2c1CC(=O)Nc1ccccc1
InChIInChI=1S/C21H22N2O3/c1-14(2)26-21(25)13-19-17(16-10-6-7-11-18(16)23-19)12-20(24)22-15-8-4-3-5-9-15/h3-11,14,23H,12-13H2,1-2H3,(H,22,24)
InChIKeyZLPGTTODDNMQPR-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.84
Rot. Bonds6

About propan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate

propan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate (PubChem CID 171483502) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is propan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate
PubChem CID171483502
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Namepropan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate
SMILESCC(C)OC(=O)Cc1[nH]c2ccccc2c1CC(=O)Nc1ccccc1
InChIInChI=1S/C21H22N2O3/c1-14(2)26-21(25)13-19-17(16-10-6-7-11-18(16)23-19)12-20(24)22-15-8-4-3-5-9-15/h3-11,14,23H,12-13H2,1-2H3,(H,22,24)
InChIKeyZLPGTTODDNMQPR-UHFFFAOYSA-N
XLogP3.84
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate
CID 171483490
3-[2-(4-ethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 4688274
ethyl 2-(3-ethyl-1H-indol-2-yl)acetate
CID 15424486
3-[2-(4-chloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 59409122
N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31856117
2-[2-[(3-fluorophenyl)methyl]-1H-indol-3-yl]-N-pyridin-4-ylacetamide
CID 67696692
3-[2-(butan-2-ylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 3573688
2-(9H-carbazol-2-yloxy)-N-phenylacetamide
CID 7714190
3-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1H-indole-2-carboxylic acid
CID 22423402
2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 60555655
(2S,3S)-3-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 119194327
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate?
The IUPAC name of propan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate (CID 171483502) is propan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate?
The canonical SMILES for propan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate is CC(C)OC(=O)Cc1[nH]c2ccccc2c1CC(=O)Nc1ccccc1.
What is the InChIKey of propan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate?
The InChIKey is ZLPGTTODDNMQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14(2)26-21(25)13-19-17(16-10-6-7-11-18(16)23-19)12-20(24)22-15-8-4-3-5-9-15/h3-11,14,23H,12-13H2,1-2H3,(H,22,24).
What are the key properties of propan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate?
propan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate has a molecular weight of 350.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-(2-anilino-2-oxoethyl)-1H-indol-2-yl]acetate is sourced from PubChem (CID 171483502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).