2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride

C17H26ClN3O — CID 120663653

IUPAC2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride
SMILESCC(C)N(C(=O)CN1C[C@H]2CNC[C@H]2C1)c1ccccc1.Cl
InChIInChI=1S/C17H25N3O.ClH/c1-13(2)20(16-6-4-3-5-7-16)17(21)12-19-10-14-8-18-9-15(14)11-19;/h3-7,13-15,18H,8-12H2,1-2H3;1H/t14-,15+;
InChIKeyNORSBWPISOAXPL-KBGJBQQCSA-N
MW323.87 g/mol
LogP2.00
Rot. Bonds4

About 2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride

2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride (PubChem CID 120663653) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is 2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride
PubChem CID120663653
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC Name2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride
SMILESCC(C)N(C(=O)CN1C[C@H]2CNC[C@H]2C1)c1ccccc1.Cl
InChIInChI=1S/C17H25N3O.ClH/c1-13(2)20(16-6-4-3-5-7-16)17(21)12-19-10-14-8-18-9-15(14)11-19;/h3-7,13-15,18H,8-12H2,1-2H3;1H/t14-,15+;
InChIKeyNORSBWPISOAXPL-KBGJBQQCSA-N
XLogP2.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride with MolForge

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Related Compounds

2-(3-hydroxyazetidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 63282516
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzylacetamide;hydrochloride
CID 120663951
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(cyanomethyl)-N-phenylacetamide
CID 66211056
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 120663847
2-[methyl(pyrrolidin-3-yl)amino]-N-phenyl-N-propan-2-ylacetamide
CID 63298363
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 38079687
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 120663762
N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55462200
N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide
CID 87021791
2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 120663923
2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 51535172
N'-phenyl-N,N'-di(propan-2-yl)propanediamide
CID 71028151

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride?
The IUPAC name of 2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride (CID 120663653) is 2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride.
What is the SMILES notation for 2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride?
The canonical SMILES for 2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride is CC(C)N(C(=O)CN1C[C@H]2CNC[C@H]2C1)c1ccccc1.Cl.
What is the InChIKey of 2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride?
The InChIKey is NORSBWPISOAXPL-KBGJBQQCSA-N. The full InChI is InChI=1S/C17H25N3O.ClH/c1-13(2)20(16-6-4-3-5-7-16)17(21)12-19-10-14-8-18-9-15(14)11-19;/h3-7,13-15,18H,8-12H2,1-2H3;1H/t14-,15+;.
What are the key properties of 2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride?
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride has a molecular weight of 323.87 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-phenyl-N-propan-2-ylacetamide;hydrochloride is sourced from PubChem (CID 120663653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).