3-hydroxy-2-methyl-3-phenylpropanamide

C10H13NO2 — CID 15183457

IUPAC3-hydroxy-2-methyl-3-phenylpropanamide
SMILESCC(C(N)=O)C(O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-7(10(11)13)9(12)8-5-3-2-4-6-8/h2-7,9,12H,1H3,(H2,11,13)
InChIKeyIRKVJAUEYRHXND-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.84
Rot. Bonds3

About 3-hydroxy-2-methyl-3-phenylpropanamide

3-hydroxy-2-methyl-3-phenylpropanamide (PubChem CID 15183457) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-3-phenylpropanamide
PubChem CID15183457
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-hydroxy-2-methyl-3-phenylpropanamide
SMILESCC(C(N)=O)C(O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-7(10(11)13)9(12)8-5-3-2-4-6-8/h2-7,9,12H,1H3,(H2,11,13)
InChIKeyIRKVJAUEYRHXND-UHFFFAOYSA-N
XLogP0.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-hydroxy-2-methyl-3-phenylpropanamide (CID 15183457) is 3-hydroxy-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-hydroxy-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-hydroxy-2-methyl-3-phenylpropanamide is CC(C(N)=O)C(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-2-methyl-3-phenylpropanamide?
The InChIKey is IRKVJAUEYRHXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(10(11)13)9(12)8-5-3-2-4-6-8/h2-7,9,12H,1H3,(H2,11,13).
What are the key properties of 3-hydroxy-2-methyl-3-phenylpropanamide?
3-hydroxy-2-methyl-3-phenylpropanamide has a molecular weight of 179.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 15183457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).