2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide

C13H18N2O3 — CID 43310888

IUPAC2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide
SMILESCC(NCC(=O)N(C)C)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H18N2O3/c1-9(14-7-13(16)15(2)3)10-4-5-11-12(6-10)18-8-17-11/h4-6,9,14H,7-8H2,1-3H3
InChIKeyAUQTXZBSAMYVIE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.15
Rot. Bonds4

About 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide

2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide (PubChem CID 43310888) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide
PubChem CID43310888
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide
SMILESCC(NCC(=O)N(C)C)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H18N2O3/c1-9(14-7-13(16)15(2)3)10-4-5-11-12(6-10)18-8-17-11/h4-6,9,14H,7-8H2,1-3H3
InChIKeyAUQTXZBSAMYVIE-UHFFFAOYSA-N
XLogP1.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-propan-2-ylacetamide
CID 43567784
2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]ethanol
CID 29083160
1-[1-(1,3-benzodioxol-5-yl)ethylamino]propan-2-ol
CID 43499381
N,N-dimethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide
CID 43214735
3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide
CID 99821538
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214641
N,N-dimethyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361311
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclobutan-1-ol
CID 66006062
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 83069532
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide (CID 43310888) is 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide is CC(NCC(=O)N(C)C)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide?
The InChIKey is AUQTXZBSAMYVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(14-7-13(16)15(2)3)10-4-5-11-12(6-10)18-8-17-11/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide?
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide has a molecular weight of 250.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43310888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).