(2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide

C14H25NO3 — CID 24755027

IUPAC(2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide
SMILESCON(C)C(=O)/C=C\C=C\CCCCC[C@H](C)O
InChIInChI=1S/C14H25NO3/c1-13(16)11-9-7-5-4-6-8-10-12-14(17)15(2)18-3/h6,8,10,12-13,16H,4-5,7,9,11H2,1-3H3/b8-6+,12-10-/t13-/m0/s1
InChIKeyJPWJHKBGDZYKJR-UDQHIXNXSA-N
MW255.36 g/mol
LogP2.45
Rot. Bonds9

About (2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide

(2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide (PubChem CID 24755027) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide
PubChem CID24755027
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide
SMILESCON(C)C(=O)/C=C\C=C\CCCCC[C@H](C)O
InChIInChI=1S/C14H25NO3/c1-13(16)11-9-7-5-4-6-8-10-12-14(17)15(2)18-3/h6,8,10,12-13,16H,4-5,7,9,11H2,1-3H3/b8-6+,12-10-/t13-/m0/s1
InChIKeyJPWJHKBGDZYKJR-UDQHIXNXSA-N
XLogP2.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide
CID 11830847
(E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide
CID 134859320
(E,5R)-5-hydroxy-N-methoxy-N-methyloct-2-enamide
CID 49781847
(E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide
CID 10683549
(E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide
CID 46211276

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide?
The IUPAC name of (2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide (CID 24755027) is (2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide.
What is the SMILES notation for (2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide?
The canonical SMILES for (2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide is CON(C)C(=O)/C=C\C=C\CCCCC[C@H](C)O.
What is the InChIKey of (2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide?
The InChIKey is JPWJHKBGDZYKJR-UDQHIXNXSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(16)11-9-7-5-4-6-8-10-12-14(17)15(2)18-3/h6,8,10,12-13,16H,4-5,7,9,11H2,1-3H3/b8-6+,12-10-/t13-/m0/s1.
What are the key properties of (2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide?
(2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide has a molecular weight of 255.36 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide is sourced from PubChem (CID 24755027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).