N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide

C12H15NO3 — CID 60655471

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(C)=O
InChIInChI=1S/C12H15NO3/c1-3-13(9(2)14)7-10-4-5-11-12(6-10)16-8-15-11/h4-6H,3,7-8H2,1-2H3
InChIKeyLYLGIPUQANSMSG-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.78
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide

N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide (PubChem CID 60655471) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
PubChem CID60655471
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(C)=O
InChIInChI=1S/C12H15NO3/c1-3-13(9(2)14)7-10-4-5-11-12(6-10)16-8-15-11/h4-6H,3,7-8H2,1-2H3
InChIKeyLYLGIPUQANSMSG-UHFFFAOYSA-N
XLogP1.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-N-ethylpropanamide
CID 54874683
N-(1,3-benzodioxol-5-ylmethyl)-2-bromo-N-ethylbutanamide
CID 62854334
tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 63788319
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,2,3,3-tetrafluoropropanamide
CID 103732398
benzyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 70700680
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
CID 78801312
2-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 115573207
N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylamino)-N-ethylacetamide
CID 60687458
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
CID 86978498
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2H-triazole-4-carboxamide
CID 47335003
N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-N-ethylpyridine-3-carboxamide
CID 51190042

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide (CID 60655471) is N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide is CCN(Cc1ccc2c(c1)OCO2)C(C)=O.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide?
The InChIKey is LYLGIPUQANSMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-13(9(2)14)7-10-4-5-11-12(6-10)16-8-15-11/h4-6H,3,7-8H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide has a molecular weight of 221.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide is sourced from PubChem (CID 60655471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).