5-acetamido-4-hydroxy-2-methylhexanamide

C9H18N2O3 — CID 20577876

IUPAC5-acetamido-4-hydroxy-2-methylhexanamide
SMILESCC(=O)NC(C)C(O)CC(C)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-5(9(10)14)4-8(13)6(2)11-7(3)12/h5-6,8,13H,4H2,1-3H3,(H2,10,14)(H,11,12)
InChIKeyNGFDPUGPGYTUSA-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.62
Rot. Bonds5

About 5-acetamido-4-hydroxy-2-methylhexanamide

5-acetamido-4-hydroxy-2-methylhexanamide (PubChem CID 20577876) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-acetamido-4-hydroxy-2-methylhexanamide.

Molecular Properties

Compound Name5-acetamido-4-hydroxy-2-methylhexanamide
PubChem CID20577876
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name5-acetamido-4-hydroxy-2-methylhexanamide
SMILESCC(=O)NC(C)C(O)CC(C)C(N)=O
InChIInChI=1S/C9H18N2O3/c1-5(9(10)14)4-8(13)6(2)11-7(3)12/h5-6,8,13H,4H2,1-3H3,(H2,10,14)(H,11,12)
InChIKeyNGFDPUGPGYTUSA-UHFFFAOYSA-N
XLogP-0.62
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-4-hydroxy-2-methylhexanamide?
The IUPAC name of 5-acetamido-4-hydroxy-2-methylhexanamide (CID 20577876) is 5-acetamido-4-hydroxy-2-methylhexanamide.
What is the SMILES notation for 5-acetamido-4-hydroxy-2-methylhexanamide?
The canonical SMILES for 5-acetamido-4-hydroxy-2-methylhexanamide is CC(=O)NC(C)C(O)CC(C)C(N)=O.
What is the InChIKey of 5-acetamido-4-hydroxy-2-methylhexanamide?
The InChIKey is NGFDPUGPGYTUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5(9(10)14)4-8(13)6(2)11-7(3)12/h5-6,8,13H,4H2,1-3H3,(H2,10,14)(H,11,12).
What are the key properties of 5-acetamido-4-hydroxy-2-methylhexanamide?
5-acetamido-4-hydroxy-2-methylhexanamide has a molecular weight of 202.25 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-4-hydroxy-2-methylhexanamide is sourced from PubChem (CID 20577876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).