N-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide

C16H23N3O2 — CID 66209423

IUPACN-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
SMILESCOc1cccc(NC(=O)CN2CC3CNCC3C2C)c1
InChIInChI=1S/C16H23N3O2/c1-11-15-8-17-7-12(15)9-19(11)10-16(20)18-13-4-3-5-14(6-13)21-2/h3-6,11-12,15,17H,7-10H2,1-2H3,(H,18,20)
InChIKeyAXGINGURMLLSQJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.17
Rot. Bonds4

About N-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide

N-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide (PubChem CID 66209423) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
PubChem CID66209423
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
SMILESCOc1cccc(NC(=O)CN2CC3CNCC3C2C)c1
InChIInChI=1S/C16H23N3O2/c1-11-15-8-17-7-12(15)9-19(11)10-16(20)18-13-4-3-5-14(6-13)21-2/h3-6,11-12,15,17H,7-10H2,1-2H3,(H,18,20)
InChIKeyAXGINGURMLLSQJ-UHFFFAOYSA-N
XLogP1.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79370579
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3-methylphenyl)acetamide
CID 66209909
2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62654790
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 62046860
(3S,4S)-1-[2-(3-methoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953774
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-methoxyphenyl)acetamide
CID 7952292
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxyphenyl)methanone
CID 66210256
N-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870377
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-(3-methoxyphenyl)-2-[3-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 114499122

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide (CID 66209423) is N-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide is COc1cccc(NC(=O)CN2CC3CNCC3C2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The InChIKey is AXGINGURMLLSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-15-8-17-7-12(15)9-19(11)10-16(20)18-13-4-3-5-14(6-13)21-2/h3-6,11-12,15,17H,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
N-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide is sourced from PubChem (CID 66209423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).