ethyl 2-(1-benzyl-4,5,6,7-tetrahydroindol-3-yl)acetate

C19H23NO2 — CID 100983044

IUPACethyl 2-(1-benzyl-4,5,6,7-tetrahydroindol-3-yl)acetate
SMILESCCOC(=O)Cc1cn(Cc2ccccc2)c2c1CCCC2
InChIInChI=1S/C19H23NO2/c1-2-22-19(21)12-16-14-20(13-15-8-4-3-5-9-15)18-11-7-6-10-17(16)18/h3-5,8-9,14H,2,6-7,10-13H2,1H3
InChIKeyDMCIBXYJTFVERY-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.52
Rot. Bonds5

About ethyl 2-(1-benzyl-4,5,6,7-tetrahydroindol-3-yl)acetate

ethyl 2-(1-benzyl-4,5,6,7-tetrahydroindol-3-yl)acetate (PubChem CID 100983044) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 2-(1-benzyl-4,5,6,7-tetrahydroindol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-benzyl-4,5,6,7-tetrahydroindol-3-yl)acetate
PubChem CID100983044
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nameethyl 2-(1-benzyl-4,5,6,7-tetrahydroindol-3-yl)acetate
SMILESCCOC(=O)Cc1cn(Cc2ccccc2)c2c1CCCC2
InChIInChI=1S/C19H23NO2/c1-2-22-19(21)12-16-14-20(13-15-8-4-3-5-9-15)18-11-7-6-10-17(16)18/h3-5,8-9,14H,2,6-7,10-13H2,1H3
InChIKeyDMCIBXYJTFVERY-UHFFFAOYSA-N
XLogP3.52
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-ethyl-4,5,6,7-tetrahydroindole
CID 15438946
ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 2-[1-benzyl-2-(2,3-dimethylanilino)-4-oxopyrimidin-5-yl]acetate
CID 163928985
ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 10707422
ethyl 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 13349686
ethyl 2-(1-benzylazepan-3-ylidene)acetate
CID 86619134
2-benzyl-4-methyl-5,6,7,8-tetrahydroisoquinolin-1-one
CID 123599433
azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate
CID 174610812
ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate
CID 68976287
diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 54682554

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzyl-4,5,6,7-tetrahydroindol-3-yl)acetate?
The IUPAC name of ethyl 2-(1-benzyl-4,5,6,7-tetrahydroindol-3-yl)acetate (CID 100983044) is ethyl 2-(1-benzyl-4,5,6,7-tetrahydroindol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1-benzyl-4,5,6,7-tetrahydroindol-3-yl)acetate?
The canonical SMILES for ethyl 2-(1-benzyl-4,5,6,7-tetrahydroindol-3-yl)acetate is CCOC(=O)Cc1cn(Cc2ccccc2)c2c1CCCC2.
What is the InChIKey of ethyl 2-(1-benzyl-4,5,6,7-tetrahydroindol-3-yl)acetate?
The InChIKey is DMCIBXYJTFVERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-22-19(21)12-16-14-20(13-15-8-4-3-5-9-15)18-11-7-6-10-17(16)18/h3-5,8-9,14H,2,6-7,10-13H2,1H3.
What are the key properties of ethyl 2-(1-benzyl-4,5,6,7-tetrahydroindol-3-yl)acetate?
ethyl 2-(1-benzyl-4,5,6,7-tetrahydroindol-3-yl)acetate has a molecular weight of 297.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzyl-4,5,6,7-tetrahydroindol-3-yl)acetate is sourced from PubChem (CID 100983044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).