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

C15H22ClN3O3 — CID 71459010

IUPAC[3-(3-amino-3-oxopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1C(CCC(N)=O)CN2.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-3-18(2)15(20)21-12-6-4-5-11-14(12)10(9-17-11)7-8-13(16)19;/h4-6,10,17H,3,7-9H2,1-2H3,(H2,16,19);1H
InChIKeyGFQVQAUXSJJAAH-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.33
Rot. Bonds5

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

[3-(3-amino-3-oxopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride (PubChem CID 71459010) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is [3-(3-amino-3-oxopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Name[3-(3-amino-3-oxopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride
PubChem CID71459010
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name[3-(3-amino-3-oxopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1C(CCC(N)=O)CN2.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-3-18(2)15(20)21-12-6-4-5-11-14(12)10(9-17-11)7-8-13(16)19;/h4-6,10,17H,3,7-9H2,1-2H3,(H2,16,19);1H
InChIKeyGFQVQAUXSJJAAH-UHFFFAOYSA-N
XLogP2.33
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-amino-3-oxopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride?
The IUPAC name of [3-(3-amino-3-oxopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride (CID 71459010) is [3-(3-amino-3-oxopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride.
What is the SMILES notation for [3-(3-amino-3-oxopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride?
The canonical SMILES for [3-(3-amino-3-oxopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride is CCN(C)C(=O)Oc1cccc2c1C(CCC(N)=O)CN2.Cl.
What is the InChIKey of [3-(3-amino-3-oxopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride?
The InChIKey is GFQVQAUXSJJAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c1-3-18(2)15(20)21-12-6-4-5-11-14(12)10(9-17-11)7-8-13(16)19;/h4-6,10,17H,3,7-9H2,1-2H3,(H2,16,19);1H.
What are the key properties of [3-(3-amino-3-oxopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride?
[3-(3-amino-3-oxopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-amino-3-oxopropyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride is sourced from PubChem (CID 71459010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).