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

C16H23N3O — CID 66207477

IUPACN-benzyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
SMILESCC1C2CNCC2CN1CC(=O)NCc1ccccc1
InChIInChI=1S/C16H23N3O/c1-12-15-9-17-8-14(15)10-19(12)11-16(20)18-7-13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11H2,1H3,(H,18,20)
InChIKeySPWVZBABKLWJJE-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.84
Rot. Bonds4

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

N-benzyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide (PubChem CID 66207477) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-benzyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
PubChem CID66207477
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-benzyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
SMILESCC1C2CNCC2CN1CC(=O)NCc1ccccc1
InChIInChI=1S/C16H23N3O/c1-12-15-9-17-8-14(15)10-19(12)11-16(20)18-7-13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11H2,1H3,(H,18,20)
InChIKeySPWVZBABKLWJJE-UHFFFAOYSA-N
XLogP0.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzylacetamide;hydrochloride
CID 120663951
N-(2-cyanoethyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
CID 66207467
4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211652
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872
N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide
CID 95974838
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide
CID 66202371
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
CID 11930936
N-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 66207675
2-(3-aminoazetidin-1-yl)-N-benzylacetamide
CID 63760913
4-ethyl-5-(4-phenylbutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114334232
N-benzyl-2-[2-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 120757524
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide
CID 80507204

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide (CID 66207477) is N-benzyl-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-benzyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide is CC1C2CNCC2CN1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The InChIKey is SPWVZBABKLWJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-15-9-17-8-14(15)10-19(12)11-16(20)18-7-13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11H2,1H3,(H,18,20).
What are the key properties of N-benzyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
N-benzyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide has a molecular weight of 273.38 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide is sourced from PubChem (CID 66207477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).