3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride

C16H23ClN2O3 — CID 119690221

IUPAC3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-2-18(16(19)12-4-5-13(17)8-12)9-11-3-6-14-15(7-11)21-10-20-14;/h3,6-7,12-13H,2,4-5,8-10,17H2,1H3;1H
InChIKeyIURYFDPSNZZLGW-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.31
Rot. Bonds4

About 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride

3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119690221) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119690221
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-2-18(16(19)12-4-5-13(17)8-12)9-11-3-6-14-15(7-11)21-10-20-14;/h3,6-7,12-13H,2,4-5,8-10,17H2,1H3;1H
InChIKeyIURYFDPSNZZLGW-UHFFFAOYSA-N
XLogP2.31
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119782938
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119690222
cis-(1S,3R)-3-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 124683673
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66010420
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737170
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 78982492
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
CID 78801312
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperidine-2-carboxamide
CID 103808191
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 66008961
N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylamino)-N-ethylacetamide
CID 60687458

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride (CID 119690221) is 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride is CCN(Cc1ccc2c(c1)OCO2)C(=O)C1CCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is IURYFDPSNZZLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-2-18(16(19)12-4-5-13(17)8-12)9-11-3-6-14-15(7-11)21-10-20-14;/h3,6-7,12-13H,2,4-5,8-10,17H2,1H3;1H.
What are the key properties of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119690221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).