4-hydroxy-4-phenylbutanamide

C10H13NO2 — CID 11423922

IUPAC4-hydroxy-4-phenylbutanamide
SMILESNC(=O)CCC(O)c1ccccc1
InChIInChI=1S/C10H13NO2/c11-10(13)7-6-9(12)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H2,11,13)
InChIKeyXQIWADBGHGLGLY-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.99
Rot. Bonds4

About 4-hydroxy-4-phenylbutanamide

4-hydroxy-4-phenylbutanamide (PubChem CID 11423922) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-hydroxy-4-phenylbutanamide.

Molecular Properties

Compound Name4-hydroxy-4-phenylbutanamide
PubChem CID11423922
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-hydroxy-4-phenylbutanamide
SMILESNC(=O)CCC(O)c1ccccc1
InChIInChI=1S/C10H13NO2/c11-10(13)7-6-9(12)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H2,11,13)
InChIKeyXQIWADBGHGLGLY-UHFFFAOYSA-N
XLogP0.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-phenylbutanamide?
The IUPAC name of 4-hydroxy-4-phenylbutanamide (CID 11423922) is 4-hydroxy-4-phenylbutanamide.
What is the SMILES notation for 4-hydroxy-4-phenylbutanamide?
The canonical SMILES for 4-hydroxy-4-phenylbutanamide is NC(=O)CCC(O)c1ccccc1.
What is the InChIKey of 4-hydroxy-4-phenylbutanamide?
The InChIKey is XQIWADBGHGLGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-10(13)7-6-9(12)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H2,11,13).
What are the key properties of 4-hydroxy-4-phenylbutanamide?
4-hydroxy-4-phenylbutanamide has a molecular weight of 179.22 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-phenylbutanamide is sourced from PubChem (CID 11423922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).