9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C20H29ClN2O3 — CID 120983489

IUPAC9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(CC1COc2ccccc2O1)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C20H28N2O3.ClH/c1-22(11-16-12-24-17-7-2-3-8-18(17)25-16)20(23)15-9-13-5-4-6-14(10-15)19(13)21;/h2-3,7-8,13-16,19H,4-6,9-12,21H2,1H3;1H
InChIKeyJJSLPUNFDHOWQN-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.86
Rot. Bonds3

About 9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120983489) has the molecular formula C20H29ClN2O3 and a molecular weight of 380.92 g/mol. Its IUPAC name is 9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120983489
Molecular FormulaC20H29ClN2O3
Molecular Weight380.92 g/mol
Exact Mass380.19
IUPAC Name9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(CC1COc2ccccc2O1)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C20H28N2O3.ClH/c1-22(11-16-12-24-17-7-2-3-8-18(17)25-16)20(23)15-9-13-5-4-6-14(10-15)19(13)21;/h2-3,7-8,13-16,19H,4-6,9-12,21H2,1H3;1H
InChIKeyJJSLPUNFDHOWQN-UHFFFAOYSA-N
XLogP2.86
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988662
(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 94152365
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,2-trimethylpropanamide
CID 81489682
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethylbutanamide
CID 64679217
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2-dimethylpropanamide
CID 62727367
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanamide
CID 61258863
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethylbutanamide
CID 61259944
9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985296
(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 31985390
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119683309
9-amino-N-methyl-N-[(2-nitrophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985593
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120983489) is 9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CN(CC1COc2ccccc2O1)C(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is JJSLPUNFDHOWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3.ClH/c1-22(11-16-12-24-17-7-2-3-8-18(17)25-16)20(23)15-9-13-5-4-6-14(10-15)19(13)21;/h2-3,7-8,13-16,19H,4-6,9-12,21H2,1H3;1H.
What are the key properties of 9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120983489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).