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

C12H22N4O2 — CID 66207669

IUPACN-(ethylcarbamoyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
SMILESCCNC(=O)NC(=O)CN1CC2CNCC2C1C
InChIInChI=1S/C12H22N4O2/c1-3-14-12(18)15-11(17)7-16-6-9-4-13-5-10(9)8(16)2/h8-10,13H,3-7H2,1-2H3,(H2,14,15,17,18)
InChIKeyGHBLDJCSBSWLIN-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.63
Rot. Bonds3

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

N-(ethylcarbamoyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide (PubChem CID 66207669) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
PubChem CID66207669
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-(ethylcarbamoyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
SMILESCCNC(=O)NC(=O)CN1CC2CNCC2C1C
InChIInChI=1S/C12H22N4O2/c1-3-14-12(18)15-11(17)7-16-6-9-4-13-5-10(9)8(16)2/h8-10,13H,3-7H2,1-2H3,(H2,14,15,17,18)
InChIKeyGHBLDJCSBSWLIN-UHFFFAOYSA-N
XLogP-0.63
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide (CID 66207669) is N-(ethylcarbamoyl)-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-(ethylcarbamoyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide is CCNC(=O)NC(=O)CN1CC2CNCC2C1C.
What is the InChIKey of N-(ethylcarbamoyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The InChIKey is GHBLDJCSBSWLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-14-12(18)15-11(17)7-16-6-9-4-13-5-10(9)8(16)2/h8-10,13H,3-7H2,1-2H3,(H2,14,15,17,18).
What are the key properties of N-(ethylcarbamoyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
N-(ethylcarbamoyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide has a molecular weight of 254.33 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide is sourced from PubChem (CID 66207669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).