N-[(Z,2E)-2-ethylidenepent-3-enyl]-2-(methoxymethyl)-3-methylbutanamide

C14H25NO2 — CID 144540828

IUPACN-[(Z,2E)-2-ethylidenepent-3-enyl]-2-(methoxymethyl)-3-methylbutanamide
SMILESC/C=C\C(=C/C)CNC(=O)C(COC)C(C)C
InChIInChI=1S/C14H25NO2/c1-6-8-12(7-2)9-15-14(16)13(10-17-5)11(3)4/h6-8,11,13H,9-10H2,1-5H3,(H,15,16)/b8-6-,12-7+
InChIKeyILPUJMRENXRIBS-LQNKLOEDSA-N
MW239.36 g/mol
LogP2.54
Rot. Bonds7

About N-[(Z,2E)-2-ethylidenepent-3-enyl]-2-(methoxymethyl)-3-methylbutanamide

N-[(Z,2E)-2-ethylidenepent-3-enyl]-2-(methoxymethyl)-3-methylbutanamide (PubChem CID 144540828) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(Z,2E)-2-ethylidenepent-3-enyl]-2-(methoxymethyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-[(Z,2E)-2-ethylidenepent-3-enyl]-2-(methoxymethyl)-3-methylbutanamide
PubChem CID144540828
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[(Z,2E)-2-ethylidenepent-3-enyl]-2-(methoxymethyl)-3-methylbutanamide
SMILESC/C=C\C(=C/C)CNC(=O)C(COC)C(C)C
InChIInChI=1S/C14H25NO2/c1-6-8-12(7-2)9-15-14(16)13(10-17-5)11(3)4/h6-8,11,13H,9-10H2,1-5H3,(H,15,16)/b8-6-,12-7+
InChIKeyILPUJMRENXRIBS-LQNKLOEDSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z,2E)-2-ethylidenepent-3-enyl]-2-(methoxymethyl)-3-methylbutanamide?
The IUPAC name of N-[(Z,2E)-2-ethylidenepent-3-enyl]-2-(methoxymethyl)-3-methylbutanamide (CID 144540828) is N-[(Z,2E)-2-ethylidenepent-3-enyl]-2-(methoxymethyl)-3-methylbutanamide.
What is the SMILES notation for N-[(Z,2E)-2-ethylidenepent-3-enyl]-2-(methoxymethyl)-3-methylbutanamide?
The canonical SMILES for N-[(Z,2E)-2-ethylidenepent-3-enyl]-2-(methoxymethyl)-3-methylbutanamide is C/C=C\C(=C/C)CNC(=O)C(COC)C(C)C.
What is the InChIKey of N-[(Z,2E)-2-ethylidenepent-3-enyl]-2-(methoxymethyl)-3-methylbutanamide?
The InChIKey is ILPUJMRENXRIBS-LQNKLOEDSA-N. The full InChI is InChI=1S/C14H25NO2/c1-6-8-12(7-2)9-15-14(16)13(10-17-5)11(3)4/h6-8,11,13H,9-10H2,1-5H3,(H,15,16)/b8-6-,12-7+.
What are the key properties of N-[(Z,2E)-2-ethylidenepent-3-enyl]-2-(methoxymethyl)-3-methylbutanamide?
N-[(Z,2E)-2-ethylidenepent-3-enyl]-2-(methoxymethyl)-3-methylbutanamide has a molecular weight of 239.36 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2E)-2-ethylidenepent-3-enyl]-2-(methoxymethyl)-3-methylbutanamide is sourced from PubChem (CID 144540828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).