N-(1,3-benzodioxol-4-yl)-2-(dipropylamino)acetamide;hydrochloride

C15H23ClN2O3 — CID 2868948

IUPACN-(1,3-benzodioxol-4-yl)-2-(dipropylamino)acetamide;hydrochloride
SMILESCCCN(CCC)CC(=O)Nc1cccc2c1OCO2.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-3-8-17(9-4-2)10-14(18)16-12-6-5-7-13-15(12)20-11-19-13;/h5-7H,3-4,8-11H2,1-2H3,(H,16,18);1H
InChIKeyXNSTUESAYAPROJ-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.90
Rot. Bonds7

About N-(1,3-benzodioxol-4-yl)-2-(dipropylamino)acetamide;hydrochloride

N-(1,3-benzodioxol-4-yl)-2-(dipropylamino)acetamide;hydrochloride (PubChem CID 2868948) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-yl)-2-(dipropylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-yl)-2-(dipropylamino)acetamide;hydrochloride
PubChem CID2868948
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC NameN-(1,3-benzodioxol-4-yl)-2-(dipropylamino)acetamide;hydrochloride
SMILESCCCN(CCC)CC(=O)Nc1cccc2c1OCO2.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-3-8-17(9-4-2)10-14(18)16-12-6-5-7-13-15(12)20-11-19-13;/h5-7H,3-4,8-11H2,1-2H3,(H,16,18);1H
InChIKeyXNSTUESAYAPROJ-UHFFFAOYSA-N
XLogP2.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2H-1,3-Benzodioxol-5-yl)acetamide
CID 98688
Ethyl benzo[d][1,3]dioxol-5-ylglycinate
CID 745625
1-Piperazinepropanamide, N-1,3-benzodioxol-5-yl-4-phenyl-
CID 1149630
1,3-Benzodioxol-5-amine, N-ethyl-
CID 118365
N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide
CID 760826
N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide
CID 837107
N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 863856
N-1,3-benzodioxol-5-yl-N'-(4-methylcyclohexyl)ethanediamide
CID 2223231
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide
CID 2465911
N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-4-methylpentanamide
CID 4005106
2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 4883942
N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149625

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-yl)-2-(dipropylamino)acetamide;hydrochloride?
The IUPAC name of N-(1,3-benzodioxol-4-yl)-2-(dipropylamino)acetamide;hydrochloride (CID 2868948) is N-(1,3-benzodioxol-4-yl)-2-(dipropylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(1,3-benzodioxol-4-yl)-2-(dipropylamino)acetamide;hydrochloride?
The canonical SMILES for N-(1,3-benzodioxol-4-yl)-2-(dipropylamino)acetamide;hydrochloride is CCCN(CCC)CC(=O)Nc1cccc2c1OCO2.Cl.
What is the InChIKey of N-(1,3-benzodioxol-4-yl)-2-(dipropylamino)acetamide;hydrochloride?
The InChIKey is XNSTUESAYAPROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-3-8-17(9-4-2)10-14(18)16-12-6-5-7-13-15(12)20-11-19-13;/h5-7H,3-4,8-11H2,1-2H3,(H,16,18);1H.
What are the key properties of N-(1,3-benzodioxol-4-yl)-2-(dipropylamino)acetamide;hydrochloride?
N-(1,3-benzodioxol-4-yl)-2-(dipropylamino)acetamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-yl)-2-(dipropylamino)acetamide;hydrochloride is sourced from PubChem (CID 2868948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).