2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide

C17H24ClN3O3 — CID 136582407

IUPAC2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(NC(=O)CN2C[C@@H]3CCN(C)[C@@H]3C2)cc1Cl
InChIInChI=1S/C17H24ClN3O3/c1-20-5-4-11-8-21(9-14(11)20)10-17(22)19-13-6-12(18)15(23-2)7-16(13)24-3/h6-7,11,14H,4-5,8-10H2,1-3H3,(H,19,22)/t11-,14+/m0/s1
InChIKeyYNHGYLVBAAESLP-SMDDNHRTSA-N
MW353.85 g/mol
LogP1.93
Rot. Bonds5

About 2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide

2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide (PubChem CID 136582407) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
PubChem CID136582407
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(NC(=O)CN2C[C@@H]3CCN(C)[C@@H]3C2)cc1Cl
InChIInChI=1S/C17H24ClN3O3/c1-20-5-4-11-8-21(9-14(11)20)10-17(22)19-13-6-12(18)15(23-2)7-16(13)24-3/h6-7,11,14H,4-5,8-10H2,1-3H3,(H,19,22)/t11-,14+/m0/s1
InChIKeyYNHGYLVBAAESLP-SMDDNHRTSA-N
XLogP1.93
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide with MolForge

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919693
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]acetamide
CID 55864288
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 34424370
methyl 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55663345
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17378547
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]acetamide
CID 55850200
1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816590
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3R)-3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 98340125
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 37405379

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide (CID 136582407) is 2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide is COc1cc(OC)c(NC(=O)CN2C[C@@H]3CCN(C)[C@@H]3C2)cc1Cl.
What is the InChIKey of 2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
The InChIKey is YNHGYLVBAAESLP-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-20-5-4-11-8-21(9-14(11)20)10-17(22)19-13-6-12(18)15(23-2)7-16(13)24-3/h6-7,11,14H,4-5,8-10H2,1-3H3,(H,19,22)/t11-,14+/m0/s1.
What are the key properties of 2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide?
2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide has a molecular weight of 353.85 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 136582407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).