(E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide

C14H27NO3 — CID 46211276

IUPAC(E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide
SMILESCCCCCCC[C@@H](O)C/C=C/C(=O)N(C)OC
InChIInChI=1S/C14H27NO3/c1-4-5-6-7-8-10-13(16)11-9-12-14(17)15(2)18-3/h9,12-13,16H,4-8,10-11H2,1-3H3/b12-9+/t13-/m1/s1
InChIKeyRAHHMNKGUSSWMR-CNELAYHGSA-N
MW257.37 g/mol
LogP2.67
Rot. Bonds10

About (E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide

(E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide (PubChem CID 46211276) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide.

Molecular Properties

Compound Name(E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide
PubChem CID46211276
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide
SMILESCCCCCCC[C@@H](O)C/C=C/C(=O)N(C)OC
InChIInChI=1S/C14H27NO3/c1-4-5-6-7-8-10-13(16)11-9-12-14(17)15(2)18-3/h9,12-13,16H,4-8,10-11H2,1-3H3/b12-9+/t13-/m1/s1
InChIKeyRAHHMNKGUSSWMR-CNELAYHGSA-N
XLogP2.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.67
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'}

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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,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide
CID 49781632
(E,5R)-5-hydroxy-N-methoxy-N-methyloct-2-enamide
CID 49781847
4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide
CID 75291951
(E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide
CID 10683549
(2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide
CID 24755027
(Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide
CID 134860903

Frequently Asked Questions

What is the IUPAC name of (E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide?
The IUPAC name of (E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide (CID 46211276) is (E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide.
What is the SMILES notation for (E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide?
The canonical SMILES for (E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide is CCCCCCC[C@@H](O)C/C=C/C(=O)N(C)OC.
What is the InChIKey of (E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide?
The InChIKey is RAHHMNKGUSSWMR-CNELAYHGSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-5-6-7-8-10-13(16)11-9-12-14(17)15(2)18-3/h9,12-13,16H,4-8,10-11H2,1-3H3/b12-9+/t13-/m1/s1.
What are the key properties of (E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide?
(E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide has a molecular weight of 257.37 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide is sourced from PubChem (CID 46211276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).