1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone

C16H24N2O3 — CID 103189935

IUPAC1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone
SMILESCCN(CC(=O)c1ccc2c(c1)OCO2)C(C)CN(C)C
InChIInChI=1S/C16H24N2O3/c1-5-18(12(2)9-17(3)4)10-14(19)13-6-7-15-16(8-13)21-11-20-15/h6-8,12H,5,9-11H2,1-4H3
InChIKeyAYRZTKDAHDKXOE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.87
Rot. Bonds7

About 1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone

1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone (PubChem CID 103189935) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone
PubChem CID103189935
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone
SMILESCCN(CC(=O)c1ccc2c(c1)OCO2)C(C)CN(C)C
InChIInChI=1S/C16H24N2O3/c1-5-18(12(2)9-17(3)4)10-14(19)13-6-7-15-16(8-13)21-11-20-15/h6-8,12H,5,9-11H2,1-4H3
InChIKeyAYRZTKDAHDKXOE-UHFFFAOYSA-N
XLogP1.87
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61429193
1-(1,3-benzodioxol-5-yl)-4-methylpentane-1,3-dione
CID 63319607
1-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethanone
CID 82112937
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-methylbutanoate
CID 55510766
1-(1,3-benzodioxol-5-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone
CID 107399799
N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 4668559
1-(1,3-benzodioxol-5-yl)-3-(propan-2-ylamino)propan-1-one
CID 94262548
3-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-methylamino]propanenitrile
CID 60678833
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentan-1-one
CID 114873952
1-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 94268915
N-[(2R)-1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpropanamide
CID 168989712
1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone
CID 60679019

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone (CID 103189935) is 1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone is CCN(CC(=O)c1ccc2c(c1)OCO2)C(C)CN(C)C.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone?
The InChIKey is AYRZTKDAHDKXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-18(12(2)9-17(3)4)10-14(19)13-6-7-15-16(8-13)21-11-20-15/h6-8,12H,5,9-11H2,1-4H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone?
1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone has a molecular weight of 292.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanone is sourced from PubChem (CID 103189935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).