N-(5-hydroxyoct-1-en-4-yl)butanamide

C12H23NO2 — CID 550763

IUPACN-(5-hydroxyoct-1-en-4-yl)butanamide
SMILESC=CCC(NC(=O)CCC)C(O)CCC
InChIInChI=1S/C12H23NO2/c1-4-7-10(11(14)8-5-2)13-12(15)9-6-3/h4,10-11,14H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyGRJXQHJJNPTSAQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.01
Rot. Bonds8

About N-(5-hydroxyoct-1-en-4-yl)butanamide

N-(5-hydroxyoct-1-en-4-yl)butanamide (PubChem CID 550763) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(5-hydroxyoct-1-en-4-yl)butanamide.

Molecular Properties

Compound NameN-(5-hydroxyoct-1-en-4-yl)butanamide
PubChem CID550763
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(5-hydroxyoct-1-en-4-yl)butanamide
SMILESC=CCC(NC(=O)CCC)C(O)CCC
InChIInChI=1S/C12H23NO2/c1-4-7-10(11(14)8-5-2)13-12(15)9-6-3/h4,10-11,14H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyGRJXQHJJNPTSAQ-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxyoct-1-en-4-yl)butanamide?
The IUPAC name of N-(5-hydroxyoct-1-en-4-yl)butanamide (CID 550763) is N-(5-hydroxyoct-1-en-4-yl)butanamide.
What is the SMILES notation for N-(5-hydroxyoct-1-en-4-yl)butanamide?
The canonical SMILES for N-(5-hydroxyoct-1-en-4-yl)butanamide is C=CCC(NC(=O)CCC)C(O)CCC.
What is the InChIKey of N-(5-hydroxyoct-1-en-4-yl)butanamide?
The InChIKey is GRJXQHJJNPTSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-7-10(11(14)8-5-2)13-12(15)9-6-3/h4,10-11,14H,1,5-9H2,2-3H3,(H,13,15).
What are the key properties of N-(5-hydroxyoct-1-en-4-yl)butanamide?
N-(5-hydroxyoct-1-en-4-yl)butanamide has a molecular weight of 213.32 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxyoct-1-en-4-yl)butanamide is sourced from PubChem (CID 550763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).