2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide

C16H31N3O — CID 66244844

IUPAC2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CC2CNCC2C1(C)C)C(C)C
InChIInChI=1S/C16H31N3O/c1-11(2)19(12(3)4)15(20)10-18-9-13-7-17-8-14(13)16(18,5)6/h11-14,17H,7-10H2,1-6H3
InChIKeyDRVUGWLSZZLGDS-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.56
Rot. Bonds4

About 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide

2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide (PubChem CID 66244844) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide
PubChem CID66244844
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CC2CNCC2C1(C)C)C(C)C
InChIInChI=1S/C16H31N3O/c1-11(2)19(12(3)4)15(20)10-18-9-13-7-17-8-14(13)16(18,5)6/h11-14,17H,7-10H2,1-6H3
InChIKeyDRVUGWLSZZLGDS-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide with MolForge

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Related Compounds

(2S)-1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-2-ol
CID 106933586
2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 66244013
2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 66244832
2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66244638
2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 66244631
1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-1-one
CID 66244795
1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-methylpentan-1-one
CID 66242522
1-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)acetyl]pyrrolidin-2-one
CID 66244849
5-(2-ethylbutyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66208395
5-decyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243161
ethyl 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanoate
CID 66241716
5-butyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66207819

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide (CID 66244844) is 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CN1CC2CNCC2C1(C)C)C(C)C.
What is the InChIKey of 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide?
The InChIKey is DRVUGWLSZZLGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-11(2)19(12(3)4)15(20)10-18-9-13-7-17-8-14(13)16(18,5)6/h11-14,17H,7-10H2,1-6H3.
What are the key properties of 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide?
2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 66244844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).