N-(6-amino-1,3-benzodioxol-5-yl)-3-cyclopentyl-2-methylpropanamide;hydrochloride

C16H23ClN2O3 — CID 119618365

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-3-cyclopentyl-2-methylpropanamide;hydrochloride
SMILESCC(CC1CCCC1)C(=O)Nc1cc2c(cc1N)OCO2.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-10(6-11-4-2-3-5-11)16(19)18-13-8-15-14(7-12(13)17)20-9-21-15;/h7-8,10-11H,2-6,9,17H2,1H3,(H,18,19);1H
InChIKeyWLXSLJKWTDETGV-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.57
Rot. Bonds4

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

N-(6-amino-1,3-benzodioxol-5-yl)-3-cyclopentyl-2-methylpropanamide;hydrochloride (PubChem CID 119618365) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-3-cyclopentyl-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-3-cyclopentyl-2-methylpropanamide;hydrochloride
PubChem CID119618365
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-3-cyclopentyl-2-methylpropanamide;hydrochloride
SMILESCC(CC1CCCC1)C(=O)Nc1cc2c(cc1N)OCO2.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-10(6-11-4-2-3-5-11)16(19)18-13-8-15-14(7-12(13)17)20-9-21-15;/h7-8,10-11H,2-6,9,17H2,1H3,(H,18,19);1H
InChIKeyWLXSLJKWTDETGV-UHFFFAOYSA-N
XLogP3.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.57
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-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutanamide
CID 43548167
N-(2-aminophenyl)-3-cyclohexyl-2-methylpropanamide
CID 119422452
N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-yl)propanamide;dihydrochloride
CID 119618488
N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpentanamide
CID 43549090
N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide
CID 120569231
3-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]-2-methylpropanamide
CID 119439505
N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 119618224
N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119618169
N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride
CID 119618394
4-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylbutanamide
CID 80543534
1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-propan-2-ylurea
CID 43551276
3-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-1-methylurea
CID 79160086

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-3-cyclopentyl-2-methylpropanamide;hydrochloride?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-3-cyclopentyl-2-methylpropanamide;hydrochloride (CID 119618365) is N-(6-amino-1,3-benzodioxol-5-yl)-3-cyclopentyl-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-3-cyclopentyl-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-3-cyclopentyl-2-methylpropanamide;hydrochloride is CC(CC1CCCC1)C(=O)Nc1cc2c(cc1N)OCO2.Cl.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-3-cyclopentyl-2-methylpropanamide;hydrochloride?
The InChIKey is WLXSLJKWTDETGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-10(6-11-4-2-3-5-11)16(19)18-13-8-15-14(7-12(13)17)20-9-21-15;/h7-8,10-11H,2-6,9,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-3-cyclopentyl-2-methylpropanamide;hydrochloride?
N-(6-amino-1,3-benzodioxol-5-yl)-3-cyclopentyl-2-methylpropanamide;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 3.57, 4 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)-3-cyclopentyl-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119618365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).