(Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide

C10H19NO4 — CID 134860903

IUPAC(Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide
SMILESCON(C)C(=O)/C=C\[C@H](O)CC[C@@H](C)O
InChIInChI=1S/C10H19NO4/c1-8(12)4-5-9(13)6-7-10(14)11(2)15-3/h6-9,12-13H,4-5H2,1-3H3/b7-6-/t8-,9-/m1/s1
InChIKeyVXNNWNPRYMTAAP-IEKVDETDSA-N
MW217.27 g/mol
LogP0.08
Rot. Bonds6

About (Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide

(Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide (PubChem CID 134860903) has the molecular formula C10H19NO4 and a molecular weight of 217.27 g/mol. Its IUPAC name is (Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide.

Molecular Properties

Compound Name(Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide
PubChem CID134860903
Molecular FormulaC10H19NO4
Molecular Weight217.27 g/mol
Exact Mass217.13
IUPAC Name(Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide
SMILESCON(C)C(=O)/C=C\[C@H](O)CC[C@@H](C)O
InChIInChI=1S/C10H19NO4/c1-8(12)4-5-9(13)6-7-10(14)11(2)15-3/h6-9,12-13H,4-5H2,1-3H3/b7-6-/t8-,9-/m1/s1
InChIKeyVXNNWNPRYMTAAP-IEKVDETDSA-N
XLogP0.08
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide with MolForge

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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
magnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide
CID 134860902
(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
(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
(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
(E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide
CID 46211276

Frequently Asked Questions

What is the IUPAC name of (Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide?
The IUPAC name of (Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide (CID 134860903) is (Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide.
What is the SMILES notation for (Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide?
The canonical SMILES for (Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide is CON(C)C(=O)/C=C\[C@H](O)CC[C@@H](C)O.
What is the InChIKey of (Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide?
The InChIKey is VXNNWNPRYMTAAP-IEKVDETDSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(12)4-5-9(13)6-7-10(14)11(2)15-3/h6-9,12-13H,4-5H2,1-3H3/b7-6-/t8-,9-/m1/s1.
What are the key properties of (Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide?
(Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide has a molecular weight of 217.27 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide is sourced from PubChem (CID 134860903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).