N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide

C14H25NO — CID 11658630

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)C(C)C
InChIInChI=1S/C14H25NO/c1-11(2)7-6-8-13(5)9-10-15-14(16)12(3)4/h7,9,12H,6,8,10H2,1-5H3,(H,15,16)/b13-9+
InChIKeyJWXZMRKGDGVJGU-UKTHLTGXSA-N
MW223.36 g/mol
LogP3.45
Rot. Bonds6

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide (PubChem CID 11658630) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide
PubChem CID11658630
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)C(C)C
InChIInChI=1S/C14H25NO/c1-11(2)7-6-8-13(5)9-10-15-14(16)12(3)4/h7,9,12H,6,8,10H2,1-5H3,(H,15,16)/b13-9+
InChIKeyJWXZMRKGDGVJGU-UKTHLTGXSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide (CID 11658630) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide is CC(C)=CCC/C(C)=C/CNC(=O)C(C)C.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide?
The InChIKey is JWXZMRKGDGVJGU-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)7-6-8-13(5)9-10-15-14(16)12(3)4/h7,9,12H,6,8,10H2,1-5H3,(H,15,16)/b13-9+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide has a molecular weight of 223.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide is sourced from PubChem (CID 11658630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).