(E)-N,N-diethyl-5-methyloct-3-enamide

C13H25NO — CID 13183973

IUPAC(E)-N,N-diethyl-5-methyloct-3-enamide
SMILESCCCC(C)/C=C/CC(=O)N(CC)CC
InChIInChI=1S/C13H25NO/c1-5-9-12(4)10-8-11-13(15)14(6-2)7-3/h8,10,12H,5-7,9,11H2,1-4H3/b10-8+
InChIKeyFVKVEEZLZVOFKY-CSKARUKUSA-N
MW211.35 g/mol
LogP3.24
Rot. Bonds7

About (E)-N,N-diethyl-5-methyloct-3-enamide

(E)-N,N-diethyl-5-methyloct-3-enamide (PubChem CID 13183973) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (E)-N,N-diethyl-5-methyloct-3-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-5-methyloct-3-enamide
PubChem CID13183973
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(E)-N,N-diethyl-5-methyloct-3-enamide
SMILESCCCC(C)/C=C/CC(=O)N(CC)CC
InChIInChI=1S/C13H25NO/c1-5-9-12(4)10-8-11-13(15)14(6-2)7-3/h8,10,12H,5-7,9,11H2,1-4H3/b10-8+
InChIKeyFVKVEEZLZVOFKY-CSKARUKUSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.24
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 (E)-N,N-diethyl-5-methyloct-3-enamide?
The IUPAC name of (E)-N,N-diethyl-5-methyloct-3-enamide (CID 13183973) is (E)-N,N-diethyl-5-methyloct-3-enamide.
What is the SMILES notation for (E)-N,N-diethyl-5-methyloct-3-enamide?
The canonical SMILES for (E)-N,N-diethyl-5-methyloct-3-enamide is CCCC(C)/C=C/CC(=O)N(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-5-methyloct-3-enamide?
The InChIKey is FVKVEEZLZVOFKY-CSKARUKUSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-9-12(4)10-8-11-13(15)14(6-2)7-3/h8,10,12H,5-7,9,11H2,1-4H3/b10-8+.
What are the key properties of (E)-N,N-diethyl-5-methyloct-3-enamide?
(E)-N,N-diethyl-5-methyloct-3-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.24, 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-5-methyloct-3-enamide is sourced from PubChem (CID 13183973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).