3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide

C18H18N2O5 — CID 29454663

IUPAC3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)COc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H18N2O5/c1-20(2)18(22)12-4-3-5-13(8-12)19-17(21)10-23-14-6-7-15-16(9-14)25-11-24-15/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyAEDLROGHVDTTFC-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.13
Rot. Bonds5

About 3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide

3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 29454663) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID29454663
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)COc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H18N2O5/c1-20(2)18(22)12-4-3-5-13(8-12)19-17(21)10-23-14-6-7-15-16(9-14)25-11-24-15/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyAEDLROGHVDTTFC-UHFFFAOYSA-N
XLogP2.13
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-acetylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32627222
3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide
CID 29464616
N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 55523564
N,N-dimethyl-3-[(2-quinolin-6-yloxyacetyl)amino]benzamide
CID 60595070
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600
N-(1,3-benzodioxol-5-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128509
2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide
CID 91954213
N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide
CID 112978730
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 7786798
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 2709578
N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534227

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide (CID 29454663) is 3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)COc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is AEDLROGHVDTTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-20(2)18(22)12-4-3-5-13(8-12)19-17(21)10-23-14-6-7-15-16(9-14)25-11-24-15/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 342.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 29454663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).