(3R)-3-hydroxy-N-methoxy-N-methylhexanamide

C8H17NO3 — CID 15526417

IUPAC(3R)-3-hydroxy-N-methoxy-N-methylhexanamide
SMILESCCC[C@@H](O)CC(=O)N(C)OC
InChIInChI=1S/C8H17NO3/c1-4-5-7(10)6-8(11)9(2)12-3/h7,10H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyXTLRSDHCNISJOS-SSDOTTSWSA-N
MW175.23 g/mol
LogP0.56
Rot. Bonds5

About (3R)-3-hydroxy-N-methoxy-N-methylhexanamide

(3R)-3-hydroxy-N-methoxy-N-methylhexanamide (PubChem CID 15526417) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-methoxy-N-methylhexanamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-methoxy-N-methylhexanamide
PubChem CID15526417
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(3R)-3-hydroxy-N-methoxy-N-methylhexanamide
SMILESCCC[C@@H](O)CC(=O)N(C)OC
InChIInChI=1S/C8H17NO3/c1-4-5-7(10)6-8(11)9(2)12-3/h7,10H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyXTLRSDHCNISJOS-SSDOTTSWSA-N
XLogP0.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-methoxy-N-methylhexanamide?
The IUPAC name of (3R)-3-hydroxy-N-methoxy-N-methylhexanamide (CID 15526417) is (3R)-3-hydroxy-N-methoxy-N-methylhexanamide.
What is the SMILES notation for (3R)-3-hydroxy-N-methoxy-N-methylhexanamide?
The canonical SMILES for (3R)-3-hydroxy-N-methoxy-N-methylhexanamide is CCC[C@@H](O)CC(=O)N(C)OC.
What is the InChIKey of (3R)-3-hydroxy-N-methoxy-N-methylhexanamide?
The InChIKey is XTLRSDHCNISJOS-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-5-7(10)6-8(11)9(2)12-3/h7,10H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-methoxy-N-methylhexanamide?
(3R)-3-hydroxy-N-methoxy-N-methylhexanamide has a molecular weight of 175.23 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-methoxy-N-methylhexanamide is sourced from PubChem (CID 15526417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).