2-ethylhexyl 2,3-dihydroindole-1-carboxylate

C17H25NO2 — CID 54416259

IUPAC2-ethylhexyl 2,3-dihydroindole-1-carboxylate
SMILESCCCCC(CC)COC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H25NO2/c1-3-5-8-14(4-2)13-20-17(19)18-12-11-15-9-6-7-10-16(15)18/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3
InChIKeyVXQLUZLSSJAXBK-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.40
Rot. Bonds6

About 2-ethylhexyl 2,3-dihydroindole-1-carboxylate

2-ethylhexyl 2,3-dihydroindole-1-carboxylate (PubChem CID 54416259) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-ethylhexyl 2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Name2-ethylhexyl 2,3-dihydroindole-1-carboxylate
PubChem CID54416259
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-ethylhexyl 2,3-dihydroindole-1-carboxylate
SMILESCCCCC(CC)COC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H25NO2/c1-3-5-8-14(4-2)13-20-17(19)18-12-11-15-9-6-7-10-16(15)18/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3
InChIKeyVXQLUZLSSJAXBK-UHFFFAOYSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol
CID 143232672
1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
ethyl 3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxylate
CID 10376695
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium
CID 2443776
ethanol;2-(2-ethylhexoxycarbonyl)benzoic acid
CID 175410629
benzoic acid;2-ethylhexyl benzoate
CID 90214866
bromo 2,3-dihydroindole-1-carboxylate
CID 140683815
2-ethylhexyl 2-hydroxy-3-phenylpropanoate
CID 56974943
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
[2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 3746469
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2,3-dihydroindole-1-carboxylate?
The IUPAC name of 2-ethylhexyl 2,3-dihydroindole-1-carboxylate (CID 54416259) is 2-ethylhexyl 2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for 2-ethylhexyl 2,3-dihydroindole-1-carboxylate?
The canonical SMILES for 2-ethylhexyl 2,3-dihydroindole-1-carboxylate is CCCCC(CC)COC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-ethylhexyl 2,3-dihydroindole-1-carboxylate?
The InChIKey is VXQLUZLSSJAXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-5-8-14(4-2)13-20-17(19)18-12-11-15-9-6-7-10-16(15)18/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3.
What are the key properties of 2-ethylhexyl 2,3-dihydroindole-1-carboxylate?
2-ethylhexyl 2,3-dihydroindole-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 54416259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).