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

C15H27NO — CID 11651611

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H27NO/c1-6-15(17)16(7-2)12-11-14(5)10-8-9-13(3)4/h9,11H,6-8,10,12H2,1-5H3/b14-11+
InChIKeyYXMLJFZCQOVHQX-SDNWHVSQSA-N
MW237.39 g/mol
LogP3.94
Rot. Bonds7

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

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylpropanamide (PubChem CID 11651611) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylpropanamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylpropanamide
PubChem CID11651611
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H27NO/c1-6-15(17)16(7-2)12-11-14(5)10-8-9-13(3)4/h9,11H,6-8,10,12H2,1-5H3/b14-11+
InChIKeyYXMLJFZCQOVHQX-SDNWHVSQSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
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]-N-ethylpropanamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylpropanamide (CID 11651611) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylpropanamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylpropanamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylpropanamide is CCC(=O)N(CC)C/C=C(\C)CCC=C(C)C.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylpropanamide?
The InChIKey is YXMLJFZCQOVHQX-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H27NO/c1-6-15(17)16(7-2)12-11-14(5)10-8-9-13(3)4/h9,11H,6-8,10,12H2,1-5H3/b14-11+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylpropanamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylpropanamide has a molecular weight of 237.39 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 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]-N-ethylpropanamide is sourced from PubChem (CID 11651611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).