[3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride

C16H26ClN3O2 — CID 90656344

IUPAC[3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1C(CCN(C)C)CN2.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-5-19(4)16(20)21-14-8-6-7-13-15(14)12(11-17-13)9-10-18(2)3;/h6-8,12,17H,5,9-11H2,1-4H3;1H
InChIKeyBNGVJGNSCMFUAE-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.02
Rot. Bonds5

About [3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride

[3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride (PubChem CID 90656344) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride
PubChem CID90656344
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name[3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1C(CCN(C)C)CN2.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-5-19(4)16(20)21-14-8-6-7-13-15(14)12(11-17-13)9-10-18(2)3;/h6-8,12,17H,5,9-11H2,1-4H3;1H
InChIKeyBNGVJGNSCMFUAE-UHFFFAOYSA-N
XLogP3.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride?
The IUPAC name of [3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride (CID 90656344) is [3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride?
The canonical SMILES for [3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride is CCN(C)C(=O)Oc1cccc2c1C(CCN(C)C)CN2.Cl.
What is the InChIKey of [3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride?
The InChIKey is BNGVJGNSCMFUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-5-19(4)16(20)21-14-8-6-7-13-15(14)12(11-17-13)9-10-18(2)3;/h6-8,12,17H,5,9-11H2,1-4H3;1H.
What are the key properties of [3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride?
[3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride is sourced from PubChem (CID 90656344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).