2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride

C23H33ClN2O3 — CID 119773859

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)N(Cc1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C23H32N2O3.ClH/c26-23(13-17-10-18-7-8-19(11-17)24-18)25(20-4-2-1-3-5-20)14-16-6-9-21-22(12-16)28-15-27-21;/h6,9,12,17-20,24H,1-5,7-8,10-11,13-15H2;1H
InChIKeyHIDZWKUIXRQWJO-UHFFFAOYSA-N
MW420.98 g/mol
LogP4.42
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride (PubChem CID 119773859) has the molecular formula C23H33ClN2O3 and a molecular weight of 420.98 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride
PubChem CID119773859
Molecular FormulaC23H33ClN2O3
Molecular Weight420.98 g/mol
Exact Mass420.22
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)N(Cc1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C23H32N2O3.ClH/c26-23(13-17-10-18-7-8-19(11-17)24-18)25(20-4-2-1-3-5-20)14-16-6-9-21-22(12-16)28-15-27-21;/h6,9,12,17-20,24H,1-5,7-8,10-11,13-15H2;1H
InChIKeyHIDZWKUIXRQWJO-UHFFFAOYSA-N
XLogP4.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.98
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide
CID 119773858
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide
CID 119938723
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
CID 42723798
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylheptanamide
CID 42723814
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide
CID 78800834
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide
CID 18190229
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)acetamide;hydrochloride
CID 119756187
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
CID 78801312
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119318289

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride (CID 119773859) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)N(Cc1ccc2c(c1)OCO2)C1CCCCC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride?
The InChIKey is HIDZWKUIXRQWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3.ClH/c26-23(13-17-10-18-7-8-19(11-17)24-18)25(20-4-2-1-3-5-20)14-16-6-9-21-22(12-16)28-15-27-21;/h6,9,12,17-20,24H,1-5,7-8,10-11,13-15H2;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride has a molecular weight of 420.98 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride is sourced from PubChem (CID 119773859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).