N-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide

C12H23NO2 — CID 87962232

IUPACN-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide
SMILESCC(C)=CCCC(C)CC(=O)NCCO
InChIInChI=1S/C12H23NO2/c1-10(2)5-4-6-11(3)9-12(15)13-7-8-14/h5,11,14H,4,6-9H2,1-3H3,(H,13,15)
InChIKeySOYAYIPYTAINDN-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds7

About N-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide

N-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide (PubChem CID 87962232) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide
PubChem CID87962232
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide
SMILESCC(C)=CCCC(C)CC(=O)NCCO
InChIInChI=1S/C12H23NO2/c1-10(2)5-4-6-11(3)9-12(15)13-7-8-14/h5,11,14H,4,6-9H2,1-3H3,(H,13,15)
InChIKeySOYAYIPYTAINDN-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.87
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-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide?
The IUPAC name of N-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide (CID 87962232) is N-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide is CC(C)=CCCC(C)CC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide?
The InChIKey is SOYAYIPYTAINDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)5-4-6-11(3)9-12(15)13-7-8-14/h5,11,14H,4,6-9H2,1-3H3,(H,13,15).
What are the key properties of N-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide?
N-(2-hydroxyethyl)-3,7-dimethyloct-6-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.87, 7 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-dimethyloct-6-enamide is sourced from PubChem (CID 87962232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).