N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)propanamide;hydrochloride

C19H23ClN2O3 — CID 119619033

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)propanamide;hydrochloride
SMILESCC(C)c1ccc(CCC(=O)Nc2cc3c(cc2N)OCO3)cc1.Cl
InChIInChI=1S/C19H22N2O3.ClH/c1-12(2)14-6-3-13(4-7-14)5-8-19(22)21-16-10-18-17(9-15(16)20)23-11-24-18;/h3-4,6-7,9-10,12H,5,8,11,20H2,1-2H3,(H,21,22);1H
InChIKeyCLSYHOVBDFBRPO-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.11
Rot. Bonds5

About N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)propanamide;hydrochloride

N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)propanamide;hydrochloride (PubChem CID 119619033) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)propanamide;hydrochloride
PubChem CID119619033
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)propanamide;hydrochloride
SMILESCC(C)c1ccc(CCC(=O)Nc2cc3c(cc2N)OCO3)cc1.Cl
InChIInChI=1S/C19H22N2O3.ClH/c1-12(2)14-6-3-13(4-7-14)5-8-19(22)21-16-10-18-17(9-15(16)20)23-11-24-18;/h3-4,6-7,9-10,12H,5,8,11,20H2,1-2H3,(H,21,22);1H
InChIKeyCLSYHOVBDFBRPO-UHFFFAOYSA-N
XLogP4.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.11
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-(6-amino-1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)propanamide
CID 119618243
N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119618694
N-(6-amino-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)butanamide
CID 119617986
N-(6-amino-1,3-benzodioxol-5-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide;hydrochloride
CID 119618195
N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)propanamide
CID 119618103
N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119618654
N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride
CID 119618394
2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
CID 43703608
3-acetamido-N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119618839
3-(4-aminophenyl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 28713210
N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride
CID 119618173
N-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119618647

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)propanamide;hydrochloride?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)propanamide;hydrochloride (CID 119619033) is N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)propanamide;hydrochloride is CC(C)c1ccc(CCC(=O)Nc2cc3c(cc2N)OCO3)cc1.Cl.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)propanamide;hydrochloride?
The InChIKey is CLSYHOVBDFBRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3.ClH/c1-12(2)14-6-3-13(4-7-14)5-8-19(22)21-16-10-18-17(9-15(16)20)23-11-24-18;/h3-4,6-7,9-10,12H,5,8,11,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)propanamide;hydrochloride?
N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-propan-2-ylphenyl)propanamide;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 4.11, 5 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-(4-propan-2-ylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119619033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).