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

C14H26N4O2 — CID 66208745

IUPACN-(2-acetamidoethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
SMILESCCC1C2CNCC2CN1CC(=O)NCCNC(C)=O
InChIInChI=1S/C14H26N4O2/c1-3-13-12-7-15-6-11(12)8-18(13)9-14(20)17-5-4-16-10(2)19/h11-13,15H,3-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyOYRRUTPFLJLXCP-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.83
Rot. Bonds6

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

N-(2-acetamidoethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide (PubChem CID 66208745) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
PubChem CID66208745
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-(2-acetamidoethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
SMILESCCC1C2CNCC2CN1CC(=O)NCCNC(C)=O
InChIInChI=1S/C14H26N4O2/c1-3-13-12-7-15-6-11(12)8-18(13)9-14(20)17-5-4-16-10(2)19/h11-13,15H,3-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyOYRRUTPFLJLXCP-UHFFFAOYSA-N
XLogP-0.83
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide (CID 66208745) is N-(2-acetamidoethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide is CCC1C2CNCC2CN1CC(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The InChIKey is OYRRUTPFLJLXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-3-13-12-7-15-6-11(12)8-18(13)9-14(20)17-5-4-16-10(2)19/h11-13,15H,3-9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(2-acetamidoethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
N-(2-acetamidoethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide has a molecular weight of 282.39 g/mol, XLogP of -0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide is sourced from PubChem (CID 66208745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).