(E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide

C12H23NO4 — CID 134859320

IUPAC(E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide
SMILESCCCCC[C@@H](O)[C@H](O)/C=C/C(=O)N(C)OC
InChIInChI=1S/C12H23NO4/c1-4-5-6-7-10(14)11(15)8-9-12(16)13(2)17-3/h8-11,14-15H,4-7H2,1-3H3/b9-8+/t10-,11-/m1/s1
InChIKeyAXMFGGFJHNWQSN-WUNNSPOASA-N
MW245.32 g/mol
LogP0.86
Rot. Bonds8

About (E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide

(E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide (PubChem CID 134859320) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is (E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide.

Molecular Properties

Compound Name(E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide
PubChem CID134859320
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name(E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide
SMILESCCCCC[C@@H](O)[C@H](O)/C=C/C(=O)N(C)OC
InChIInChI=1S/C12H23NO4/c1-4-5-6-7-10(14)11(15)8-9-12(16)13(2)17-3/h8-11,14-15H,4-7H2,1-3H3/b9-8+/t10-,11-/m1/s1
InChIKeyAXMFGGFJHNWQSN-WUNNSPOASA-N
XLogP0.86
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide
CID 102100736
(E)-4,5,6-trihydroxy-N-methoxy-N-methylhex-2-enamide
CID 168267415
(E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide
CID 49781632
4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide
CID 75291951
(E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide
CID 10683549
(E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide
CID 12181736
(2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide
CID 24755027
(E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide
CID 46211276
(E,4R,5R)-4,5-dihydroxy-N-methoxy-N,6-dimethylhept-2-enamide
CID 49781633
(E,4S,5R)-N-ethyl-4,5-dihydroxy-N-propyldec-2-enamide
CID 101727344
(E,4R,5R)-N-ethyl-4,5-dihydroxy-N-propyldec-2-enamide
CID 101727345

Frequently Asked Questions

What is the IUPAC name of (E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide?
The IUPAC name of (E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide (CID 134859320) is (E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide.
What is the SMILES notation for (E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide?
The canonical SMILES for (E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide is CCCCC[C@@H](O)[C@H](O)/C=C/C(=O)N(C)OC.
What is the InChIKey of (E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide?
The InChIKey is AXMFGGFJHNWQSN-WUNNSPOASA-N. The full InChI is InChI=1S/C12H23NO4/c1-4-5-6-7-10(14)11(15)8-9-12(16)13(2)17-3/h8-11,14-15H,4-7H2,1-3H3/b9-8+/t10-,11-/m1/s1.
What are the key properties of (E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide?
(E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide has a molecular weight of 245.32 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide is sourced from PubChem (CID 134859320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).