ethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate

C16H19N5O3 — CID 112532265

IUPACethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)N2c3ccccc3CC2C)n1
InChIInChI=1S/C16H19N5O3/c1-3-24-16(23)18-14-9-17-20(19-14)10-15(22)21-11(2)8-12-6-4-5-7-13(12)21/h4-7,9,11H,3,8,10H2,1-2H3,(H,18,19,23)
InChIKeyWIUZHTOILCTGRG-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.82
Rot. Bonds4

About ethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate

ethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112532265) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is ethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112532265
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Nameethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)N2c3ccccc3CC2C)n1
InChIInChI=1S/C16H19N5O3/c1-3-24-16(23)18-14-9-17-20(19-14)10-15(22)21-11(2)8-12-6-4-5-7-13(12)21/h4-7,9,11H,3,8,10H2,1-2H3,(H,18,19,23)
InChIKeyWIUZHTOILCTGRG-UHFFFAOYSA-N
XLogP1.82
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
CID 112520587
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3198370
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 154781578
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone
CID 41113449
ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526365
1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 24790940
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone
CID 78912909
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone
CID 146126993
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
2-[5-(2-bromophenyl)tetrazol-2-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8794568

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of ethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate (CID 112532265) is ethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate is CCOC(=O)Nc1cnn(CC(=O)N2c3ccccc3CC2C)n1.
What is the InChIKey of ethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is WIUZHTOILCTGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-3-24-16(23)18-14-9-17-20(19-14)10-15(22)21-11(2)8-12-6-4-5-7-13(12)21/h4-7,9,11H,3,8,10H2,1-2H3,(H,18,19,23).
What are the key properties of ethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate?
ethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate has a molecular weight of 329.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112532265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).