N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide

C12H21NO2 — CID 91194007

IUPACN-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCCC(C)=CC(=O)NCCO
InChIInChI=1S/C12H21NO2/c1-10(2)5-4-6-11(3)9-12(15)13-7-8-14/h5,9,14H,4,6-8H2,1-3H3,(H,13,15)
InChIKeyVYTBJJBKKWXWMO-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.79
Rot. Bonds6

About N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide

N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide (PubChem CID 91194007) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide
PubChem CID91194007
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCCC(C)=CC(=O)NCCO
InChIInChI=1S/C12H21NO2/c1-10(2)5-4-6-11(3)9-12(15)13-7-8-14/h5,9,14H,4,6-8H2,1-3H3,(H,13,15)
InChIKeyVYTBJJBKKWXWMO-UHFFFAOYSA-N
XLogP1.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide?
The IUPAC name of N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide (CID 91194007) is N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide is CC(C)=CCCC(C)=CC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide?
The InChIKey is VYTBJJBKKWXWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)5-4-6-11(3)9-12(15)13-7-8-14/h5,9,14H,4,6-8H2,1-3H3,(H,13,15).
What are the key properties of N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide?
N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide has a molecular weight of 211.30 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide is sourced from PubChem (CID 91194007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).