N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide

C19H21N3O4 — CID 108508568

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCCN(CCc1ccncc1)C(=O)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H21N3O4/c1-2-22(10-7-14-5-8-20-9-6-14)19(24)18(23)21-12-15-3-4-16-17(11-15)26-13-25-16/h3-6,8-9,11H,2,7,10,12-13H2,1H3,(H,21,23)
InChIKeyTWGZAAHSVKFGPX-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.52
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide

N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide (PubChem CID 108508568) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
PubChem CID108508568
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCCN(CCc1ccncc1)C(=O)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H21N3O4/c1-2-22(10-7-14-5-8-20-9-6-14)19(24)18(23)21-12-15-3-4-16-17(11-15)26-13-25-16/h3-6,8-9,11H,2,7,10,12-13H2,1H3,(H,21,23)
InChIKeyTWGZAAHSVKFGPX-UHFFFAOYSA-N
XLogP1.52
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108947159
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 113217368
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108998669
3-[acetyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113120764
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113121090
N-(1,3-benzodioxol-5-ylmethyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide
CID 113151758
4-[(1,3-benzodioxol-5-ylmethylcarbamoylamino)methyl]-N,N-diethylbenzamide
CID 38270534
2-[1,3-benzodioxol-5-ylmethylcarbamoyl(ethyl)amino]acetic acid
CID 62905595
N-(1,3-benzodioxol-5-ylmethyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109022575
N'-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 3122126

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide (CID 108508568) is N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide is CCN(CCc1ccncc1)C(=O)C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide?
The InChIKey is TWGZAAHSVKFGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-2-22(10-7-14-5-8-20-9-6-14)19(24)18(23)21-12-15-3-4-16-17(11-15)26-13-25-16/h3-6,8-9,11H,2,7,10,12-13H2,1H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide has a molecular weight of 355.39 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 108508568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).