[2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate

C20H20N2O3 — CID 38338434

IUPAC[2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
SMILESCc1ccccc1NC(=O)COC(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C20H20N2O3/c1-13-7-3-5-9-17(13)22-19(23)12-25-20(24)11-16-14(2)21-18-10-6-4-8-15(16)18/h3-10,21H,11-12H2,1-2H3,(H,22,23)
InChIKeyUTIGXJKRMKPTOI-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.51
Rot. Bonds5

About [2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate

[2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate (PubChem CID 38338434) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
PubChem CID38338434
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
SMILESCc1ccccc1NC(=O)COC(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C20H20N2O3/c1-13-7-3-5-9-17(13)22-19(23)12-25-20(24)11-16-14(2)21-18-10-6-4-8-15(16)18/h3-10,21H,11-12H2,1-2H3,(H,22,23)
InChIKeyUTIGXJKRMKPTOI-UHFFFAOYSA-N
XLogP3.51
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.51
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

[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 134405482
(2-oxo-2-phenylmethoxyethyl) 2-(2-methyl-1H-indol-3-yl)acetate
CID 134405594
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489270
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 38330775
[2-(2-methylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2570002
2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
CID 46596321
2-(9H-carbazol-2-yloxy)-N-(2-methylphenyl)acetamide
CID 17493998
2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 60555655
[2-(2-methylanilino)-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate
CID 99434673
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2338088
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate (CID 38338434) is [2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate is Cc1ccccc1NC(=O)COC(=O)Cc1c(C)[nH]c2ccccc12.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate?
The InChIKey is UTIGXJKRMKPTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-7-3-5-9-17(13)22-19(23)12-25-20(24)11-16-14(2)21-18-10-6-4-8-15(16)18/h3-10,21H,11-12H2,1-2H3,(H,22,23).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate?
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate has a molecular weight of 336.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate is sourced from PubChem (CID 38338434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).