7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide

C13H25NO2 — CID 91267024

IUPAC7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide
SMILESCC(O)C(C)CC=CC(C)(C)C(=O)N(C)C
InChIInChI=1S/C13H25NO2/c1-10(11(2)15)8-7-9-13(3,4)12(16)14(5)6/h7,9-11,15H,8H2,1-6H3
InChIKeyBTEIAQHQDCDXIU-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.06
Rot. Bonds5

About 7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide

7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide (PubChem CID 91267024) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide.

Molecular Properties

Compound Name7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide
PubChem CID91267024
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide
SMILESCC(O)C(C)CC=CC(C)(C)C(=O)N(C)C
InChIInChI=1S/C13H25NO2/c1-10(11(2)15)8-7-9-13(3,4)12(16)14(5)6/h7,9-11,15H,8H2,1-6H3
InChIKeyBTEIAQHQDCDXIU-UHFFFAOYSA-N
XLogP2.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
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 7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide?
The IUPAC name of 7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide (CID 91267024) is 7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide.
What is the SMILES notation for 7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide?
The canonical SMILES for 7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide is CC(O)C(C)CC=CC(C)(C)C(=O)N(C)C.
What is the InChIKey of 7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide?
The InChIKey is BTEIAQHQDCDXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(11(2)15)8-7-9-13(3,4)12(16)14(5)6/h7,9-11,15H,8H2,1-6H3.
What are the key properties of 7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide?
7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide has a molecular weight of 227.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide is sourced from PubChem (CID 91267024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).