(3R)-3-hydroxy-N-methyl-3-phenylpropanamide

C10H13NO2 — CID 10986856

IUPAC(3R)-3-hydroxy-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C[C@@H](O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-11-10(13)7-9(12)8-5-3-2-4-6-8/h2-6,9,12H,7H2,1H3,(H,11,13)/t9-/m1/s1
InChIKeyLIUQUIPHRFFOIE-SECBINFHSA-N
MW179.22 g/mol
LogP0.86
Rot. Bonds3

About (3R)-3-hydroxy-N-methyl-3-phenylpropanamide

(3R)-3-hydroxy-N-methyl-3-phenylpropanamide (PubChem CID 10986856) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-methyl-3-phenylpropanamide
PubChem CID10986856
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(3R)-3-hydroxy-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C[C@@H](O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-11-10(13)7-9(12)8-5-3-2-4-6-8/h2-6,9,12H,7H2,1H3,(H,11,13)/t9-/m1/s1
InChIKeyLIUQUIPHRFFOIE-SECBINFHSA-N
XLogP0.86
TPSA49.33 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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-methyl-3-phenylpropanamide?
The IUPAC name of (3R)-3-hydroxy-N-methyl-3-phenylpropanamide (CID 10986856) is (3R)-3-hydroxy-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-hydroxy-N-methyl-3-phenylpropanamide?
The canonical SMILES for (3R)-3-hydroxy-N-methyl-3-phenylpropanamide is CNC(=O)C[C@@H](O)c1ccccc1.
What is the InChIKey of (3R)-3-hydroxy-N-methyl-3-phenylpropanamide?
The InChIKey is LIUQUIPHRFFOIE-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11-10(13)7-9(12)8-5-3-2-4-6-8/h2-6,9,12H,7H2,1H3,(H,11,13)/t9-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-methyl-3-phenylpropanamide?
(3R)-3-hydroxy-N-methyl-3-phenylpropanamide has a molecular weight of 179.22 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 10986856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).