2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide

C18H34N2O2 — CID 22387164

IUPAC2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide
SMILESCCCCCCC1CC(=O)N(C(CCCCCC)C(N)=O)C1
InChIInChI=1S/C18H34N2O2/c1-3-5-7-9-11-15-13-17(21)20(14-15)16(18(19)22)12-10-8-6-4-2/h15-16H,3-14H2,1-2H3,(H2,19,22)
InChIKeyAEZIVYRTYUIHQK-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.63
Rot. Bonds12

About 2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide

2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide (PubChem CID 22387164) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide.

Molecular Properties

Compound Name2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide
PubChem CID22387164
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide
SMILESCCCCCCC1CC(=O)N(C(CCCCCC)C(N)=O)C1
InChIInChI=1S/C18H34N2O2/c1-3-5-7-9-11-15-13-17(21)20(14-15)16(18(19)22)12-10-8-6-4-2/h15-16H,3-14H2,1-2H3,(H2,19,22)
InChIKeyAEZIVYRTYUIHQK-UHFFFAOYSA-N
XLogP3.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide?
The IUPAC name of 2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide (CID 22387164) is 2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide.
What is the SMILES notation for 2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide?
The canonical SMILES for 2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide is CCCCCCC1CC(=O)N(C(CCCCCC)C(N)=O)C1.
What is the InChIKey of 2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide?
The InChIKey is AEZIVYRTYUIHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-3-5-7-9-11-15-13-17(21)20(14-15)16(18(19)22)12-10-8-6-4-2/h15-16H,3-14H2,1-2H3,(H2,19,22).
What are the key properties of 2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide?
2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide has a molecular weight of 310.48 g/mol, XLogP of 3.63, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide is sourced from PubChem (CID 22387164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).