N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide

C12H16N2O3 — CID 892533

IUPACN-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H16N2O3/c1-14(2)6-5-13-12(15)9-3-4-10-11(7-9)17-8-16-10/h3-4,7H,5-6,8H2,1-2H3,(H,13,15)
InChIKeyFKMXZQSHSDYPHO-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.71
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 892533) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID892533
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H16N2O3/c1-14(2)6-5-13-12(15)9-3-4-10-11(7-9)17-8-16-10/h3-4,7H,5-6,8H2,1-2H3,(H,13,15)
InChIKeyFKMXZQSHSDYPHO-UHFFFAOYSA-N
XLogP0.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide
CID 110463600
N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 25395257
1-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 94268915
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide
CID 109104153
3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 46055638
N-[2-(4-oxopentanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542975
N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
N-[2-(3-methoxypropanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542767
N-(4-bromopentyl)-1,3-benzodioxole-5-carboxamide
CID 114147566
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113065257
N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113063804

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide (CID 892533) is N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide is CN(C)CCNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is FKMXZQSHSDYPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14(2)6-5-13-12(15)9-3-4-10-11(7-9)17-8-16-10/h3-4,7H,5-6,8H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 892533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).