N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide

C13H19N3O3 — CID 108994545

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCN(C)CCNCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H19N3O3/c1-16(2)6-5-14-8-13(17)15-10-3-4-11-12(7-10)19-9-18-11/h3-4,7,14H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyDJKTZNQTUREHAK-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.50
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide (PubChem CID 108994545) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide
PubChem CID108994545
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCN(C)CCNCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H19N3O3/c1-16(2)6-5-14-8-13(17)15-10-3-4-11-12(7-10)19-9-18-11/h3-4,7,14H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyDJKTZNQTUREHAK-UHFFFAOYSA-N
XLogP0.50
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064800
N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide
CID 109017161
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide
CID 2560584
1-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 94268915
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43236461
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxyethylamino)acetamide
CID 78908360
N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide
CID 4806518
N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999711
N-(1,3-benzodioxol-5-yl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138212
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylsulfanylpropylamino)acetamide
CID 63967352

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide (CID 108994545) is N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide is CN(C)CCNCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide?
The InChIKey is DJKTZNQTUREHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16(2)6-5-14-8-13(17)15-10-3-4-11-12(7-10)19-9-18-11/h3-4,7,14H,5-6,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide has a molecular weight of 265.31 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide is sourced from PubChem (CID 108994545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).