N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide

C22H24N2O5 — CID 51361513

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc3c(c2)OCCO3)CCC(=O)N1CCOc1ccccc1
InChIInChI=1S/C22H24N2O5/c1-22(21(26)23-16-7-8-18-19(15-16)29-14-13-28-18)10-9-20(25)24(22)11-12-27-17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,23,26)
InChIKeyJXHLZGBFOOWPFY-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.86
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide (PubChem CID 51361513) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide
PubChem CID51361513
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc3c(c2)OCCO3)CCC(=O)N1CCOc1ccccc1
InChIInChI=1S/C22H24N2O5/c1-22(21(26)23-16-7-8-18-19(15-16)29-14-13-28-18)10-9-20(25)24(22)11-12-27-17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,23,26)
InChIKeyJXHLZGBFOOWPFY-UHFFFAOYSA-N
XLogP2.86
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide (CID 51361513) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide is CC1(C(=O)Nc2ccc3c(c2)OCCO3)CCC(=O)N1CCOc1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is JXHLZGBFOOWPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-22(21(26)23-16-7-8-18-19(15-16)29-14-13-28-18)10-9-20(25)24(22)11-12-27-17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,23,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 2.86, 6 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-6-yl)-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51361513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).