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

C14H26N4O2 — CID 66210096

IUPAC2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCCC1C2CNCC2CN1CC(=O)NC(=O)NC(C)C
InChIInChI=1S/C14H26N4O2/c1-4-12-11-6-15-5-10(11)7-18(12)8-13(19)17-14(20)16-9(2)3/h9-12,15H,4-8H2,1-3H3,(H2,16,17,19,20)
InChIKeyTWVPDEXVVUYHGF-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.15
Rot. Bonds4

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

2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 66210096) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID66210096
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCCC1C2CNCC2CN1CC(=O)NC(=O)NC(C)C
InChIInChI=1S/C14H26N4O2/c1-4-12-11-6-15-5-10(11)7-18(12)8-13(19)17-14(20)16-9(2)3/h9-12,15H,4-8H2,1-3H3,(H2,16,17,19,20)
InChIKeyTWVPDEXVVUYHGF-UHFFFAOYSA-N
XLogP0.15
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide (CID 66210096) is 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide is CCC1C2CNCC2CN1CC(=O)NC(=O)NC(C)C.
What is the InChIKey of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is TWVPDEXVVUYHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-12-11-6-15-5-10(11)7-18(12)8-13(19)17-14(20)16-9(2)3/h9-12,15H,4-8H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide?
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 282.39 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 66210096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).