N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide

C12H16N2O3 — CID 115157761

IUPACN-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H16N2O3/c1-3-13-7-12(15)14(2)9-4-5-10-11(6-9)17-8-16-10/h4-6,13H,3,7-8H2,1-2H3
InChIKeyBTTWHOYQDDOREZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.99
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide

N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide (PubChem CID 115157761) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide
PubChem CID115157761
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H16N2O3/c1-3-13-7-12(15)14(2)9-4-5-10-11(6-9)17-8-16-10/h4-6,13H,3,7-8H2,1-2H3
InChIKeyBTTWHOYQDDOREZ-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide
CID 69228367
N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide
CID 115167015
N-(1,3-benzodioxol-5-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60685568
2-(ethylamino)-N-methyl-N-(6-methylnaphthalen-2-yl)acetamide
CID 115157845
2-amino-4-[1,3-benzodioxol-5-yl(methyl)amino]-4-oxobutanoic acid
CID 115181007
1-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethanone
CID 82112937
N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide
CID 110752658
1,3-bis(1,3-benzodioxol-5-yl)-1-methylurea
CID 167788947
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 28794596
2-(ethylamino)-N-methyl-N-(4-propan-2-ylphenyl)acetamide
CID 115157740
2-(ethylamino)-N-methyl-N-pyridin-4-ylacetamide
CID 106935129
2-(ethylamino)-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 115157805

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide (CID 115157761) is N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide is CCNCC(=O)N(C)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide?
The InChIKey is BTTWHOYQDDOREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-13-7-12(15)14(2)9-4-5-10-11(6-9)17-8-16-10/h4-6,13H,3,7-8H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide?
N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide has a molecular weight of 236.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide is sourced from PubChem (CID 115157761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).