(E)-N,N-diethyl-2,3-dimethyloct-2-enamide

C14H27NO — CID 102303659

IUPAC(E)-N,N-diethyl-2,3-dimethyloct-2-enamide
SMILESCCCCC/C(C)=C(\C)C(=O)N(CC)CC
InChIInChI=1S/C14H27NO/c1-6-9-10-11-12(4)13(5)14(16)15(7-2)8-3/h6-11H2,1-5H3/b13-12+
InChIKeyYTNXGNQTVOBHMD-OUKQBFOZSA-N
MW225.38 g/mol
LogP3.77
Rot. Bonds7

About (E)-N,N-diethyl-2,3-dimethyloct-2-enamide

(E)-N,N-diethyl-2,3-dimethyloct-2-enamide (PubChem CID 102303659) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (E)-N,N-diethyl-2,3-dimethyloct-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-2,3-dimethyloct-2-enamide
PubChem CID102303659
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(E)-N,N-diethyl-2,3-dimethyloct-2-enamide
SMILESCCCCC/C(C)=C(\C)C(=O)N(CC)CC
InChIInChI=1S/C14H27NO/c1-6-9-10-11-12(4)13(5)14(16)15(7-2)8-3/h6-11H2,1-5H3/b13-12+
InChIKeyYTNXGNQTVOBHMD-OUKQBFOZSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-fluoro-2-(trifluoromethyl)-2-heptenamide
CID 129809586
N-diethyl geranylamine
CID 101641847
1,4,5-Trimethyl-2,3-dihydropyridin-6-one
CID 15981614
N-(2,7-dimethyl-2,7-octadienyl)-N-methylacetamide
CID 129803101
3-butyl-N,N-diethyl-2-fluorohept-2-enamide
CID 15737961
(E)-N,N-diethyl-2-methyldec-2-enamide
CID 12124211
N,N,3-triethyl-2-methylpent-2-enamide
CID 102303654
2-cyclohexylidene-N,N-diethylpropanamide
CID 102303656
(E)-N,N-diethyl-2,3-dimethylhex-2-enamide
CID 102303658
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylpropanamide
CID 11651611
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-N-propylbut-2-enamide
CID 57710833
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3-methyl-N-propylbut-2-enamide
CID 57710953

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-2,3-dimethyloct-2-enamide?
The IUPAC name of (E)-N,N-diethyl-2,3-dimethyloct-2-enamide (CID 102303659) is (E)-N,N-diethyl-2,3-dimethyloct-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-2,3-dimethyloct-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-2,3-dimethyloct-2-enamide is CCCCC/C(C)=C(\C)C(=O)N(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-2,3-dimethyloct-2-enamide?
The InChIKey is YTNXGNQTVOBHMD-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-9-10-11-12(4)13(5)14(16)15(7-2)8-3/h6-11H2,1-5H3/b13-12+.
What are the key properties of (E)-N,N-diethyl-2,3-dimethyloct-2-enamide?
(E)-N,N-diethyl-2,3-dimethyloct-2-enamide has a molecular weight of 225.38 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-2,3-dimethyloct-2-enamide is sourced from PubChem (CID 102303659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).