2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide

C20H21N3O4 — CID 24792295

IUPAC2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C20H21N3O4/c24-19(21-15-8-9-17-18(13-15)27-12-11-26-17)16-7-4-10-23(16)20(25)22-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,16H,4,7,10-12H2,(H,21,24)(H,22,25)
InChIKeyWAZBPUZTXJIQKI-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.09
Rot. Bonds3

About 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide

2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 24792295) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID24792295
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C20H21N3O4/c24-19(21-15-8-9-17-18(13-15)27-12-11-26-17)16-7-4-10-23(16)20(25)22-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,16H,4,7,10-12H2,(H,21,24)(H,22,25)
InChIKeyWAZBPUZTXJIQKI-UHFFFAOYSA-N
XLogP3.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
(2S,4S)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7443805
(2R)-2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide
CID 1468785
2-N-(1,3-benzodioxol-5-yl)-1-N-benzylpyrrolidine-1,2-dicarboxamide
CID 649014
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 646276
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]pyrrolidine-2-carboxamide
CID 11876666
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 42941692
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
(2S)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(2-imidazol-1-ylethyl)pyrrolidine-1,2-dicarboxamide
CID 136580486

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 24792295) is 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide is O=C(Nc1ccc2c(c1)OCCO2)C1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is WAZBPUZTXJIQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-19(21-15-8-9-17-18(13-15)27-12-11-26-17)16-7-4-10-23(16)20(25)22-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,16H,4,7,10-12H2,(H,21,24)(H,22,25).
What are the key properties of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 24792295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).