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

C12H21NO2 — CID 87962307

IUPAC(2E)-N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCC/C(C)=C/C(=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)/b11-9+
InChIKeyVYTBJJBKKWXWMO-PKNBQFBNSA-N
MW211.30 g/mol
LogP1.79
Rot. Bonds6

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

(2E)-N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide (PubChem CID 87962307) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (2E)-N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide.

Molecular Properties

Compound Name(2E)-N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide
PubChem CID87962307
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(2E)-N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCC/C(C)=C/C(=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)/b11-9+
InChIKeyVYTBJJBKKWXWMO-PKNBQFBNSA-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'}

Analyze (2E)-N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 10384247
CID 10384247
CID 178328693
CID 178328693
CID 85128014
CID 85128014
CID 53876632
CID 53876632
CID 87530503
CID 87530503
CID 90934645
CID 90934645
CID 167046965
CID 167046965
CID 356841
CID 356841
CID 177896835
CID 177896835
CID 130831866
CID 130831866
CID 144188005
CID 144188005
CID 11357237
CID 11357237

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide?
The IUPAC name of (2E)-N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide (CID 87962307) is (2E)-N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide.
What is the SMILES notation for (2E)-N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide?
The canonical SMILES for (2E)-N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide is CC(C)=CCC/C(C)=C/C(=O)NCCO.
What is the InChIKey of (2E)-N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide?
The InChIKey is VYTBJJBKKWXWMO-PKNBQFBNSA-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)/b11-9+.
What are the key properties of (2E)-N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide?
(2E)-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 (2E)-N-(2-hydroxyethyl)-3,7-dimethylocta-2,6-dienamide is sourced from PubChem (CID 87962307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).