(2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide

C9H19NO2 — CID 12982523

IUPAC(2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide
SMILESCCC[C@@H](O)C(CC)C(=O)NC
InChIInChI=1S/C9H19NO2/c1-4-6-8(11)7(5-2)9(12)10-3/h7-8,11H,4-6H2,1-3H3,(H,10,12)/t7?,8-/m1/s1
InChIKeyAWMDSGMZPWNAAJ-BRFYHDHCSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds5

About (2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide

(2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide (PubChem CID 12982523) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide
PubChem CID12982523
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide
SMILESCCC[C@@H](O)C(CC)C(=O)NC
InChIInChI=1S/C9H19NO2/c1-4-6-8(11)7(5-2)9(12)10-3/h7-8,11H,4-6H2,1-3H3,(H,10,12)/t7?,8-/m1/s1
InChIKeyAWMDSGMZPWNAAJ-BRFYHDHCSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide?
The IUPAC name of (2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide (CID 12982523) is (2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide.
What is the SMILES notation for (2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide?
The canonical SMILES for (2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide is CCC[C@@H](O)C(CC)C(=O)NC.
What is the InChIKey of (2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide?
The InChIKey is AWMDSGMZPWNAAJ-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-6-8(11)7(5-2)9(12)10-3/h7-8,11H,4-6H2,1-3H3,(H,10,12)/t7?,8-/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide?
(2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide has a molecular weight of 173.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-3-hydroxy-N-methylhexanamide is sourced from PubChem (CID 12982523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).