(E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide

C11H21NO3 — CID 11830847

IUPAC(E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide
SMILESCCCCC[C@H](O)/C=C/C(=O)N(C)OC
InChIInChI=1S/C11H21NO3/c1-4-5-6-7-10(13)8-9-11(14)12(2)15-3/h8-10,13H,4-7H2,1-3H3/b9-8+/t10-/m0/s1
InChIKeyNOXQFRSEBDLGLO-DDXVTDLHSA-N
MW215.29 g/mol
LogP1.50
Rot. Bonds7

About (E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide

(E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide (PubChem CID 11830847) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide.

Molecular Properties

Compound Name(E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide
PubChem CID11830847
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide
SMILESCCCCC[C@H](O)/C=C/C(=O)N(C)OC
InChIInChI=1S/C11H21NO3/c1-4-5-6-7-10(13)8-9-11(14)12(2)15-3/h8-10,13H,4-7H2,1-3H3/b9-8+/t10-/m0/s1
InChIKeyNOXQFRSEBDLGLO-DDXVTDLHSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.50
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,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide
CID 134859320
magnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide
CID 134860902
(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
(2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide
CID 88883922
(2E,5R)-5-hydroxy-N-methoxy-N-methylhepta-2,6-dienamide
CID 88901777
4-hydroxy-N-methyldodec-2-enamide
CID 170984074
(4R)-4-hydroxy-N-methyldodec-2-enamide
CID 170984075
(E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide
CID 10060932
(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

Frequently Asked Questions

What is the IUPAC name of (E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide?
The IUPAC name of (E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide (CID 11830847) is (E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide.
What is the SMILES notation for (E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide?
The canonical SMILES for (E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide is CCCCC[C@H](O)/C=C/C(=O)N(C)OC.
What is the InChIKey of (E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide?
The InChIKey is NOXQFRSEBDLGLO-DDXVTDLHSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-5-6-7-10(13)8-9-11(14)12(2)15-3/h8-10,13H,4-7H2,1-3H3/b9-8+/t10-/m0/s1.
What are the key properties of (E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide?
(E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide has a molecular weight of 215.29 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide is sourced from PubChem (CID 11830847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).