N-[[6a-methyl-2,5-di(propanoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl]-N-ethylpropanamide

C19H33N3O3 — CID 167162328

IUPACN-[[6a-methyl-2,5-di(propanoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)CC12CN(C(=O)CC)CC1(C)CN(C(=O)CC)C2
InChIInChI=1S/C19H33N3O3/c1-6-15(23)20(9-4)12-19-13-21(16(24)7-2)10-18(19,5)11-22(14-19)17(25)8-3/h6-14H2,1-5H3
InChIKeyJEMSHYGMTNIFOJ-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.74
Rot. Bonds6

About N-[[6a-methyl-2,5-di(propanoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl]-N-ethylpropanamide

N-[[6a-methyl-2,5-di(propanoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl]-N-ethylpropanamide (PubChem CID 167162328) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[[6a-methyl-2,5-di(propanoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl]-N-ethylpropanamide.

Molecular Properties

Compound NameN-[[6a-methyl-2,5-di(propanoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl]-N-ethylpropanamide
PubChem CID167162328
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC NameN-[[6a-methyl-2,5-di(propanoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)CC12CN(C(=O)CC)CC1(C)CN(C(=O)CC)C2
InChIInChI=1S/C19H33N3O3/c1-6-15(23)20(9-4)12-19-13-21(16(24)7-2)10-18(19,5)11-22(14-19)17(25)8-3/h6-14H2,1-5H3
InChIKeyJEMSHYGMTNIFOJ-UHFFFAOYSA-N
XLogP1.74
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6a-methyl-2,5-di(propanoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl]-N-ethylpropanamide?
The IUPAC name of N-[[6a-methyl-2,5-di(propanoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl]-N-ethylpropanamide (CID 167162328) is N-[[6a-methyl-2,5-di(propanoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl]-N-ethylpropanamide.
What is the SMILES notation for N-[[6a-methyl-2,5-di(propanoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl]-N-ethylpropanamide?
The canonical SMILES for N-[[6a-methyl-2,5-di(propanoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl]-N-ethylpropanamide is CCC(=O)N(CC)CC12CN(C(=O)CC)CC1(C)CN(C(=O)CC)C2.
What is the InChIKey of N-[[6a-methyl-2,5-di(propanoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl]-N-ethylpropanamide?
The InChIKey is JEMSHYGMTNIFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-6-15(23)20(9-4)12-19-13-21(16(24)7-2)10-18(19,5)11-22(14-19)17(25)8-3/h6-14H2,1-5H3.
What are the key properties of N-[[6a-methyl-2,5-di(propanoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl]-N-ethylpropanamide?
N-[[6a-methyl-2,5-di(propanoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl]-N-ethylpropanamide has a molecular weight of 351.49 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6a-methyl-2,5-di(propanoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl]-N-ethylpropanamide is sourced from PubChem (CID 167162328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).