N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide

C15H18N2O4 — CID 78982492

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)C1CNC(=O)C1
InChIInChI=1S/C15H18N2O4/c1-2-17(15(19)11-6-14(18)16-7-11)8-10-3-4-12-13(5-10)21-9-20-12/h3-5,11H,2,6-9H2,1H3,(H,16,18)
InChIKeyMODPFFYSOZCAIH-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.90
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982492) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID78982492
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)C1CNC(=O)C1
InChIInChI=1S/C15H18N2O4/c1-2-17(15(19)11-6-14(18)16-7-11)8-10-3-4-12-13(5-10)21-9-20-12/h3-5,11H,2,6-9H2,1H3,(H,16,18)
InChIKeyMODPFFYSOZCAIH-UHFFFAOYSA-N
XLogP0.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119690221
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperidine-2-carboxamide
CID 103808191
tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 63788319
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 94152924
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51314657
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-N-ethylpropanamide
CID 54874683
N-(2-amino-2-oxoethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 103103793
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
CID 78801312
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119690222
N-(1,3-benzodioxol-5-ylmethyl)-2-bromo-N-ethylbutanamide
CID 62854334

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide (CID 78982492) is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)C1CNC(=O)C1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MODPFFYSOZCAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-17(15(19)11-6-14(18)16-7-11)8-10-3-4-12-13(5-10)21-9-20-12/h3-5,11H,2,6-9H2,1H3,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.90, 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-ylmethyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).