N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide

C17H23NO3 — CID 78801312

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)CC1CCCC1
InChIInChI=1S/C17H23NO3/c1-2-18(17(19)10-13-5-3-4-6-13)11-14-7-8-15-16(9-14)21-12-20-15/h7-9,13H,2-6,10-12H2,1H3
InChIKeyDLEGIFBIKPUNII-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.34
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide (PubChem CID 78801312) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
PubChem CID78801312
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)CC1CCCC1
InChIInChI=1S/C17H23NO3/c1-2-18(17(19)10-13-5-3-4-6-13)11-14-7-8-15-16(9-14)21-12-20-15/h7-9,13H,2-6,10-12H2,1H3
InChIKeyDLEGIFBIKPUNII-UHFFFAOYSA-N
XLogP3.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide 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

N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide
CID 78800834
N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylamino)-N-ethylacetamide
CID 60687458
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-N-ethylpropanamide
CID 54874683
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperidine-2-carboxamide
CID 103808191
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51190126
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-2-ylacetamide
CID 119690248
2-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 115573207
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9341742
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 25483111
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119690221
1,3-benzodioxol-5-ylmethyl 2-cyclopentylacetate
CID 55313867

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide (CID 78801312) is N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)CC1CCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide?
The InChIKey is DLEGIFBIKPUNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-18(17(19)10-13-5-3-4-6-13)11-14-7-8-15-16(9-14)21-12-20-15/h7-9,13H,2-6,10-12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide has a molecular weight of 289.38 g/mol, XLogP of 3.34, 5 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)-2-cyclopentyl-N-ethylacetamide is sourced from PubChem (CID 78801312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).