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

C19H19NO5 — CID 91720396

IUPAC1-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanone
SMILESCC(Cc1ccc2c(c1)OCO2)NCC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H19NO5/c1-12(6-13-2-4-16-18(7-13)24-10-22-16)20-9-15(21)14-3-5-17-19(8-14)25-11-23-17/h2-5,7-8,12,20H,6,9-11H2,1H3
InChIKeyHWLAKECUQCFOQQ-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.55
Rot. Bonds6

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

1-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanone (PubChem CID 91720396) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanone.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanone
PubChem CID91720396
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanone
SMILESCC(Cc1ccc2c(c1)OCO2)NCC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H19NO5/c1-12(6-13-2-4-16-18(7-13)24-10-22-16)20-9-15(21)14-3-5-17-19(8-14)25-11-23-17/h2-5,7-8,12,20H,6,9-11H2,1H3
InChIKeyHWLAKECUQCFOQQ-UHFFFAOYSA-N
XLogP2.55
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanone with MolForge

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Related Compounds

ethyl 2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]acetate
CID 167724083
1-(1,3-benzodioxol-5-yl)-2-(1,2,2-trifluoroethylamino)ethanone;ethane
CID 167488926
1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine;hydrochloride
CID 3057998
N-(1-adamantyl)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]acetamide;hydrochloride
CID 52997945
1-(1,3-benzodioxol-5-yl)-4-methylpentane-1,3-dione
CID 63319607
1-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethanone
CID 82112937
1,4-bis(1,3-benzodioxol-5-yl)-2,3-dimethylbutan-1-one
CID 14583727
(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031
1-(1,3-benzodioxol-5-yl)-3-(propan-2-ylamino)propan-1-one
CID 94262548
1,3-bis(1,3-benzodioxol-5-yl)propan-1-one
CID 121289567
3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
CID 19614615
1-(1,3-benzodioxol-5-yl)-2-(3-ethylpentan-3-ylamino)ethanone
CID 143294185

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanone?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanone (CID 91720396) is 1-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanone.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanone?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanone is CC(Cc1ccc2c(c1)OCO2)NCC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanone?
The InChIKey is HWLAKECUQCFOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-12(6-13-2-4-16-18(7-13)24-10-22-16)20-9-15(21)14-3-5-17-19(8-14)25-11-23-17/h2-5,7-8,12,20H,6,9-11H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanone?
1-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanone has a molecular weight of 341.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanone is sourced from PubChem (CID 91720396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).