(Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide

C8H14INO3 — CID 59990586

IUPAC(Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
SMILESCON(C)C(=O)[C@@H](O)C/C=C(/C)I
InChIInChI=1S/C8H14INO3/c1-6(9)4-5-7(11)8(12)10(2)13-3/h4,7,11H,5H2,1-3H3/b6-4-/t7-/m0/s1
InChIKeyWBFLLRJXDGMTKO-NGAMADIESA-N
MW299.11 g/mol
LogP1.10
Rot. Bonds4

About (Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide

(Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide (PubChem CID 59990586) has the molecular formula C8H14INO3 and a molecular weight of 299.11 g/mol. Its IUPAC name is (Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide.

Molecular Properties

Compound Name(Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
PubChem CID59990586
Molecular FormulaC8H14INO3
Molecular Weight299.11 g/mol
Exact Mass299.00
IUPAC Name(Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
SMILESCON(C)C(=O)[C@@H](O)C/C=C(/C)I
InChIInChI=1S/C8H14INO3/c1-6(9)4-5-7(11)8(12)10(2)13-3/h4,7,11H,5H2,1-3H3/b6-4-/t7-/m0/s1
InChIKeyWBFLLRJXDGMTKO-NGAMADIESA-N
XLogP1.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N,N-dimethylhex-4-enamide
CID 59097702
(Z,2S)-6-fluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
CID 88566409
(Z,2S)-6,6,6-trifluoro-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
CID 88983224
(E,2S)-6,6,6-trifluoro-2-hydroxy-N-methoxy-N,5-dimethylhex-4-enamide
CID 142220293
(S,Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide
CID 45258939
(Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide
CID 59097705
2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide
CID 75104679
(4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide
CID 87672910
(2S)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide
CID 90975408
(2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
CID 91342710
(Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhept-4-enamide
CID 140462699
ethane;(E)-2-hydroxy-N-methoxy-N,5-dimethylhept-4-enamide
CID 142220290

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide?
The IUPAC name of (Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide (CID 59990586) is (Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide.
What is the SMILES notation for (Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide?
The canonical SMILES for (Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide is CON(C)C(=O)[C@@H](O)C/C=C(/C)I.
What is the InChIKey of (Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide?
The InChIKey is WBFLLRJXDGMTKO-NGAMADIESA-N. The full InChI is InChI=1S/C8H14INO3/c1-6(9)4-5-7(11)8(12)10(2)13-3/h4,7,11H,5H2,1-3H3/b6-4-/t7-/m0/s1.
What are the key properties of (Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide?
(Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide has a molecular weight of 299.11 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide is sourced from PubChem (CID 59990586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).