N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C21H22N2O5 — CID 4791664

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NCC2COc3ccccc3O2)CC1=O
InChIInChI=1S/C21H22N2O5/c1-26-17-7-3-2-6-16(17)23-12-14(10-20(23)24)21(25)22-11-15-13-27-18-8-4-5-9-19(18)28-15/h2-9,14-15H,10-13H2,1H3,(H,22,25)
InChIKeyWZWLJAGVGDXTAO-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.00
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4791664) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4791664
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NCC2COc3ccccc3O2)CC1=O
InChIInChI=1S/C21H22N2O5/c1-26-17-7-3-2-6-16(17)23-12-14(10-20(23)24)21(25)22-11-15-13-27-18-8-4-5-9-19(18)28-15/h2-9,14-15H,10-13H2,1H3,(H,22,25)
InChIKeyWZWLJAGVGDXTAO-UHFFFAOYSA-N
XLogP2.00
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide 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

Spiroxatrine
CID 5268
N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788370
1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-yl]-ethyl}-3-phenyl-urea
CID 10834528
4-[(2,6-Dimethylmorpholin-4-yl)carbonyl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 6457883
1-(2-Ethoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 6459126
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide
CID 2906224
1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2920624
(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-(1-phenyl-piperidin-4-ylmethyl)-amine
CID 10664759
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-[1-(2-methoxyphenyl)piperidin-4-yl]methanamine
CID 10761543
(S)-(-)-N-(1,4-benzodioxan-2-ylmethyl)-1-[1-(2-methoxyphenyl)-piperid-4-yl]methylamine
CID 10785265
[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-ylmethyl]-(2-methoxy-phenyl)-amine
CID 10785266
(8-Fluoro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1-(2-methoxy-phenyl)-piperidin-4-ylmethyl]-amine
CID 19079030

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 4791664) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N1CC(C(=O)NCC2COc3ccccc3O2)CC1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WZWLJAGVGDXTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-26-17-7-3-2-6-16(17)23-12-14(10-20(23)24)21(25)22-11-15-13-27-18-8-4-5-9-19(18)28-15/h2-9,14-15H,10-13H2,1H3,(H,22,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4791664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).