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

C17H25N3O — CID 66209909

IUPAC2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3-methylphenyl)acetamide
SMILESCCC1C2CNCC2CN1CC(=O)Nc1cccc(C)c1
InChIInChI=1S/C17H25N3O/c1-3-16-15-9-18-8-13(15)10-20(16)11-17(21)19-14-6-4-5-12(2)7-14/h4-7,13,15-16,18H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyZUSVOLPNEHQPOY-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.86
Rot. Bonds4

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

2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3-methylphenyl)acetamide (PubChem CID 66209909) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3-methylphenyl)acetamide
PubChem CID66209909
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3-methylphenyl)acetamide
SMILESCCC1C2CNCC2CN1CC(=O)Nc1cccc(C)c1
InChIInChI=1S/C17H25N3O/c1-3-16-15-9-18-8-13(15)10-20(16)11-17(21)19-14-6-4-5-12(2)7-14/h4-7,13,15-16,18H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyZUSVOLPNEHQPOY-UHFFFAOYSA-N
XLogP1.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
CID 66209423
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782
N-(3-chlorophenyl)-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide
CID 66209613
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
5-(2-bromoprop-2-enyl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209140
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 115486471
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 102784771
N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66197537
2-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 114509607
3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-phenylpropanoic acid
CID 66207397
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 66052808

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3-methylphenyl)acetamide (CID 66209909) is 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3-methylphenyl)acetamide is CCC1C2CNCC2CN1CC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is ZUSVOLPNEHQPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-16-15-9-18-8-13(15)10-20(16)11-17(21)19-14-6-4-5-12(2)7-14/h4-7,13,15-16,18H,3,8-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3-methylphenyl)acetamide?
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 287.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 66209909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).