(3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide

C11H15NO3 — CID 15526414

IUPAC(3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
SMILESCON(C)C(=O)C[C@H](O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-12(15-2)11(14)8-10(13)9-6-4-3-5-7-9/h3-7,10,13H,8H2,1-2H3/t10-/m0/s1
InChIKeyXVRULIMYSSDOAQ-JTQLQIEISA-N
MW209.25 g/mol
LogP1.13
Rot. Bonds4

About (3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide

(3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide (PubChem CID 15526414) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
PubChem CID15526414
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
SMILESCON(C)C(=O)C[C@H](O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-12(15-2)11(14)8-10(13)9-6-4-3-5-7-9/h3-7,10,13H,8H2,1-2H3/t10-/m0/s1
InChIKeyXVRULIMYSSDOAQ-JTQLQIEISA-N
XLogP1.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide?
The IUPAC name of (3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide (CID 15526414) is (3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide?
The canonical SMILES for (3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide is CON(C)C(=O)C[C@H](O)c1ccccc1.
What is the InChIKey of (3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide?
The InChIKey is XVRULIMYSSDOAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3/c1-12(15-2)11(14)8-10(13)9-6-4-3-5-7-9/h3-7,10,13H,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide?
(3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide has a molecular weight of 209.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 15526414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).