N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide

C21H22N2O6 — CID 16822345

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1
InChIInChI=1S/C21H22N2O6/c1-26-16-7-13(8-17(11-16)27-2)21(25)22-14-9-20(24)23(12-14)15-3-4-18-19(10-15)29-6-5-28-18/h3-4,7-8,10-11,14H,5-6,9,12H2,1-2H3,(H,22,25)
InChIKeyMTLHVZJEMRSZTK-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.01
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide (PubChem CID 16822345) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide
PubChem CID16822345
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1
InChIInChI=1S/C21H22N2O6/c1-26-16-7-13(8-17(11-16)27-2)21(25)22-14-9-20(24)23(12-14)15-3-4-18-19(10-15)29-6-5-28-18/h3-4,7-8,10-11,14H,5-6,9,12H2,1-2H3,(H,22,25)
InChIKeyMTLHVZJEMRSZTK-UHFFFAOYSA-N
XLogP2.01
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide 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-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide
CID 7564030
N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7564037
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 7255153
3-bromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822351
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545399
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564284
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 43971265
N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 29034004
4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide
CID 40784148
1-tert-butyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea
CID 7552143
1-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 41234836
1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea
CID 18564547

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide (CID 16822345) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NC2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide?
The InChIKey is MTLHVZJEMRSZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-26-16-7-13(8-17(11-16)27-2)21(25)22-14-9-20(24)23(12-14)15-3-4-18-19(10-15)29-6-5-28-18/h3-4,7-8,10-11,14H,5-6,9,12H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide has a molecular weight of 398.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 16822345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).