(2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide

C14H24N2O3 — CID 89064246

IUPAC(2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide
SMILESCC/C=C/CC/C=C/C[C@H](NC(=O)CO)C(=O)NC
InChIInChI=1S/C14H24N2O3/c1-3-4-5-6-7-8-9-10-12(14(19)15-2)16-13(18)11-17/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3,(H,15,19)(H,16,18)/b5-4+,9-8+/t12-/m0/s1
InChIKeyLJLXOOHERXTSIE-LGQFRCGNSA-N
MW268.36 g/mol
LogP0.90
Rot. Bonds9

About (2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide

(2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide (PubChem CID 89064246) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide.

Molecular Properties

Compound Name(2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide
PubChem CID89064246
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide
SMILESCC/C=C/CC/C=C/C[C@H](NC(=O)CO)C(=O)NC
InChIInChI=1S/C14H24N2O3/c1-3-4-5-6-7-8-9-10-12(14(19)15-2)16-13(18)11-17/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3,(H,15,19)(H,16,18)/b5-4+,9-8+/t12-/m0/s1
InChIKeyLJLXOOHERXTSIE-LGQFRCGNSA-N
XLogP0.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide?
The IUPAC name of (2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide (CID 89064246) is (2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide.
What is the SMILES notation for (2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide?
The canonical SMILES for (2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide is CC/C=C/CC/C=C/C[C@H](NC(=O)CO)C(=O)NC.
What is the InChIKey of (2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide?
The InChIKey is LJLXOOHERXTSIE-LGQFRCGNSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-4-5-6-7-8-9-10-12(14(19)15-2)16-13(18)11-17/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3,(H,15,19)(H,16,18)/b5-4+,9-8+/t12-/m0/s1.
What are the key properties of (2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide?
(2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide has a molecular weight of 268.36 g/mol, XLogP of 0.90, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide is sourced from PubChem (CID 89064246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).