N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C20H20N2O4 — CID 9036253

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C20H20N2O4/c23-19-5-2-8-22(19)12-15-3-1-4-16(9-15)20(24)21-11-14-6-7-17-18(10-14)26-13-25-17/h1,3-4,6-7,9-10H,2,5,8,11-13H2,(H,21,24)
InChIKeyCZXVGORTPMQBLX-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.47
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 9036253) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID9036253
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C20H20N2O4/c23-19-5-2-8-22(19)12-15-3-1-4-16(9-15)20(24)21-11-14-6-7-17-18(10-14)26-13-25-17/h1,3-4,6-7,9-10H,2,5,8,11-13H2,(H,21,24)
InChIKeyCZXVGORTPMQBLX-UHFFFAOYSA-N
XLogP2.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide 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-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 17474559
N-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50814259
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride
CID 119716935
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18093380
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 1091765
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 39996091
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9258728
N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 5055394
2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 86981622
3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 100626204
5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112841647

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 9036253) is N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C(NCc1ccc2c(c1)OCO2)c1cccc(CN2CCCC2=O)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is CZXVGORTPMQBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19-5-2-8-22(19)12-15-3-1-4-16(9-15)20(24)21-11-14-6-7-17-18(10-14)26-13-25-17/h1,3-4,6-7,9-10H,2,5,8,11-13H2,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.47, 5 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)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 9036253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).