(2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide

C14H27NO4 — CID 11097720

IUPAC(2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide
SMILESCCC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)C(=O)N(C)OC
InChIInChI=1S/C14H27NO4/c1-7-8-9(2)12(16)10(3)13(17)11(4)14(18)15(5)19-6/h9-12,16H,7-8H2,1-6H3/t9-,10+,11+,12-/m1/s1
InChIKeyOCINYUYFVWMMMY-NOOOWODRSA-N
MW273.37 g/mol
LogP1.64
Rot. Bonds8

About (2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide

(2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide (PubChem CID 11097720) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is (2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide.

Molecular Properties

Compound Name(2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide
PubChem CID11097720
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name(2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide
SMILESCCC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)C(=O)N(C)OC
InChIInChI=1S/C14H27NO4/c1-7-8-9(2)12(16)10(3)13(17)11(4)14(18)15(5)19-6/h9-12,16H,7-8H2,1-6H3/t9-,10+,11+,12-/m1/s1
InChIKeyOCINYUYFVWMMMY-NOOOWODRSA-N
XLogP1.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide?
The IUPAC name of (2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide (CID 11097720) is (2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide.
What is the SMILES notation for (2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide?
The canonical SMILES for (2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide is CCC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)C(=O)N(C)OC.
What is the InChIKey of (2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide?
The InChIKey is OCINYUYFVWMMMY-NOOOWODRSA-N. The full InChI is InChI=1S/C14H27NO4/c1-7-8-9(2)12(16)10(3)13(17)11(4)14(18)15(5)19-6/h9-12,16H,7-8H2,1-6H3/t9-,10+,11+,12-/m1/s1.
What are the key properties of (2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide?
(2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide has a molecular weight of 273.37 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide is sourced from PubChem (CID 11097720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).