2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide

C23H29N3O — CID 172904902

IUPAC2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CC3CN(Cc4ccccc4)CC3C2)c1C
InChIInChI=1S/C23H29N3O/c1-17-7-6-10-22(18(17)2)24-23(27)16-26-14-20-12-25(13-21(20)15-26)11-19-8-4-3-5-9-19/h3-10,20-21H,11-16H2,1-2H3,(H,24,27)
InChIKeyQGEUFQKNLHZFTG-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.31
Rot. Bonds5

About 2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide

2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 172904902) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide
PubChem CID172904902
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CC3CN(Cc4ccccc4)CC3C2)c1C
InChIInChI=1S/C23H29N3O/c1-17-7-6-10-22(18(17)2)24-23(27)16-26-14-20-12-25(13-21(20)15-26)11-19-8-4-3-5-9-19/h3-10,20-21H,11-16H2,1-2H3,(H,24,27)
InChIKeyQGEUFQKNLHZFTG-UHFFFAOYSA-N
XLogP3.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 8902404
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633
(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490945
N-(2,3-dimethylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81492808
N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898054
methyl (3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 126573947
2-(benzylamino)-N-(2,3-dimethylphenyl)acetamide
CID 54813873
N-(2,3-dimethylphenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]acetamide
CID 8929916
N-(3-chloro-2-methylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79419846
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
methyl 3-[[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzoate
CID 9435369

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide (CID 172904902) is 2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN2CC3CN(Cc4ccccc4)CC3C2)c1C.
What is the InChIKey of 2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is QGEUFQKNLHZFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-17-7-6-10-22(18(17)2)24-23(27)16-26-14-20-12-25(13-21(20)15-26)11-19-8-4-3-5-9-19/h3-10,20-21H,11-16H2,1-2H3,(H,24,27).
What are the key properties of 2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide?
2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 363.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 172904902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).