[1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride

C17H28ClN3O2 — CID 90656348

IUPAC[1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1CCN2CCCN(C)C.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-5-19(4)17(21)22-16-9-6-8-15-14(16)10-13-20(15)12-7-11-18(2)3;/h6,8-9H,5,7,10-13H2,1-4H3;1H
InChIKeyGGBOCVUXKXADAF-UHFFFAOYSA-N
MW341.88 g/mol
LogP2.87
Rot. Bonds6

About [1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride

[1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride (PubChem CID 90656348) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is [1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Name[1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride
PubChem CID90656348
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC Name[1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1CCN2CCCN(C)C.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-5-19(4)17(21)22-16-9-6-8-15-14(16)10-13-20(15)12-7-11-18(2)3;/h6,8-9H,5,7,10-13H2,1-4H3;1H
InChIKeyGGBOCVUXKXADAF-UHFFFAOYSA-N
XLogP2.87
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride?
The IUPAC name of [1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride (CID 90656348) is [1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride.
What is the SMILES notation for [1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride?
The canonical SMILES for [1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride is CCN(C)C(=O)Oc1cccc2c1CCN2CCCN(C)C.Cl.
What is the InChIKey of [1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride?
The InChIKey is GGBOCVUXKXADAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c1-5-19(4)17(21)22-16-9-6-8-15-14(16)10-13-20(15)12-7-11-18(2)3;/h6,8-9H,5,7,10-13H2,1-4H3;1H.
What are the key properties of [1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride?
[1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride is sourced from PubChem (CID 90656348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).