3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C18H25ClN2O3 — CID 119690222

IUPAC3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C18H24N2O3.ClH/c1-2-20(9-11-3-6-14-15(7-11)23-10-22-14)18(21)16-12-4-5-13(8-12)17(16)19;/h3,6-7,12-13,16-17H,2,4-5,8-10,19H2,1H3;1H
InChIKeyDNJWMDLNIINJDL-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.56
Rot. Bonds4

About 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119690222) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119690222
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C18H24N2O3.ClH/c1-2-20(9-11-3-6-14-15(7-11)23-10-22-14)18(21)16-12-4-5-13(8-12)17(16)19;/h3,6-7,12-13,16-17H,2,4-5,8-10,19H2,1H3;1H
InChIKeyDNJWMDLNIINJDL-UHFFFAOYSA-N
XLogP2.56
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119690221
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(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperidine-2-carboxamide
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N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
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N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
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N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylamino)-N-ethylacetamide
CID 60687458
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51241357
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,2,3,3-tetrafluoropropanamide
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N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-N-ethylpropanamide
CID 54874683
benzyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 70700680
N-(1,3-benzodioxol-5-ylmethyl)-2-bromo-N-ethylbutanamide
CID 62854334

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119690222) is 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CCN(Cc1ccc2c(c1)OCO2)C(=O)C1C2CCC(C2)C1N.Cl.
What is the InChIKey of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is DNJWMDLNIINJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3.ClH/c1-2-20(9-11-3-6-14-15(7-11)23-10-22-14)18(21)16-12-4-5-13(8-12)17(16)19;/h3,6-7,12-13,16-17H,2,4-5,8-10,19H2,1H3;1H.
What are the key properties of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 352.86 g/mol, XLogP of 2.56, 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-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119690222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).