2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide

C20H21N3O4 — CID 649014

IUPAC2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C20H21N3O4/c24-19(22-15-8-9-17-18(11-15)27-13-26-17)16-7-4-10-23(16)20(25)21-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,21,25)(H,22,24)
InChIKeyVJDNQQROUDYNPW-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.73
Rot. Bonds4

About 2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide

2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide (PubChem CID 649014) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide
PubChem CID649014
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C20H21N3O4/c24-19(22-15-8-9-17-18(11-15)27-13-26-17)16-7-4-10-23(16)20(25)21-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,21,25)(H,22,24)
InChIKeyVJDNQQROUDYNPW-UHFFFAOYSA-N
XLogP2.73
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide 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

(2R)-2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide
CID 1468785
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792295
(2S)-1-N-benzyl-2-N-(3,4-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468769
N-(1,3-benzodioxol-5-yl)-5-[1-(benzylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072572
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 646276
1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219752
benzyl (2S)-2-[[3-(1,3-benzodioxol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23582878
2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 24792243
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3219746
(2S)-2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468684

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide (CID 649014) is 2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCCN1C(=O)NCc1ccccc1.
What is the InChIKey of 2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide?
The InChIKey is VJDNQQROUDYNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-19(22-15-8-9-17-18(11-15)27-13-26-17)16-7-4-10-23(16)20(25)21-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,21,25)(H,22,24).
What are the key properties of 2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide?
2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 649014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).