N-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride

C18H23ClN2O3 — CID 119618672

IUPACN-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride
SMILESCl.Nc1cc2c(cc1NC(=O)C1C3CC4CC(C3)CC1C4)OCO2
InChIInChI=1S/C18H22N2O3.ClH/c19-13-6-15-16(23-8-22-15)7-14(13)20-18(21)17-11-2-9-1-10(4-11)5-12(17)3-9;/h6-7,9-12,17H,1-5,8,19H2,(H,20,21);1H
InChIKeyOHJANVZUFPXTMU-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.43
Rot. Bonds2

About N-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride

N-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride (PubChem CID 119618672) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride
PubChem CID119618672
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride
SMILESCl.Nc1cc2c(cc1NC(=O)C1C3CC4CC(C3)CC1C4)OCO2
InChIInChI=1S/C18H22N2O3.ClH/c19-13-6-15-16(23-8-22-15)7-14(13)20-18(21)17-11-2-9-1-10(4-11)5-12(17)3-9;/h6-7,9-12,17H,1-5,8,19H2,(H,20,21);1H
InChIKeyOHJANVZUFPXTMU-UHFFFAOYSA-N
XLogP3.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide
CID 107697676
N-(6-amino-1,3-benzodioxol-5-yl)-1,4-dioxane-2-carboxamide;hydrochloride
CID 119261098
N-(6-amino-1,3-benzodioxol-5-yl)oxane-3-carboxamide;hydrochloride
CID 119618602
N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride
CID 119422484
N-(6-amino-1,3-benzodioxol-5-yl)-5-methyloxolane-3-carboxamide
CID 114824227
N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119618569
N-(6-amino-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 119618941
N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride
CID 119618394
N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119619009
1-acetyl-N-(6-amino-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 119617953
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] adamantane-2-carboxylate
CID 8519888
N-(6-amino-1,3-benzodioxol-5-yl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride
CID 119618244

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride (CID 119618672) is N-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride is Cl.Nc1cc2c(cc1NC(=O)C1C3CC4CC(C3)CC1C4)OCO2.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride?
The InChIKey is OHJANVZUFPXTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c19-13-6-15-16(23-8-22-15)7-14(13)20-18(21)17-11-2-9-1-10(4-11)5-12(17)3-9;/h6-7,9-12,17H,1-5,8,19H2,(H,20,21);1H.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride?
N-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)adamantane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119618672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).