1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone

C15H21NO5 — CID 60679019

IUPAC1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone
SMILESCOCCN(CCOC)CC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO5/c1-18-7-5-16(6-8-19-2)10-13(17)12-3-4-14-15(9-12)21-11-20-14/h3-4,9H,5-8,10-11H2,1-2H3
InChIKeyDGOPXPRAFOARJU-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.19
Rot. Bonds9

About 1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone

1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone (PubChem CID 60679019) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone
PubChem CID60679019
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone
SMILESCOCCN(CCOC)CC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO5/c1-18-7-5-16(6-8-19-2)10-13(17)12-3-4-14-15(9-12)21-11-20-14/h3-4,9H,5-8,10-11H2,1-2H3
InChIKeyDGOPXPRAFOARJU-UHFFFAOYSA-N
XLogP1.19
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxypropan-1-one
CID 62789419
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 13263263
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methoxypropan-1-one
CID 62791958
1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61429193
1-(1,3-benzodioxol-5-yl)-2-[cyclobutylmethyl(ethyl)amino]ethanone
CID 107399799
3-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-methylamino]propanenitrile
CID 60678833
ethyl 3-[1,3-benzodioxole-5-carbonyl(2-methoxyethyl)amino]propanoate
CID 42702525
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542972
N-[2-(3-methoxypropanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542767
1-(1,3-benzodioxol-5-yl)-4-methylpentane-1,3-dione
CID 63319607
1-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethanone
CID 82112937
3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 51324616

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone (CID 60679019) is 1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone is COCCN(CCOC)CC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone?
The InChIKey is DGOPXPRAFOARJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-18-7-5-16(6-8-19-2)10-13(17)12-3-4-14-15(9-12)21-11-20-14/h3-4,9H,5-8,10-11H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone?
1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone has a molecular weight of 295.34 g/mol, XLogP of 1.19, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone is sourced from PubChem (CID 60679019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).