3-hydroxy-3-(4-phenoxyphenyl)butanamide

C16H17NO3 — CID 54572878

IUPAC3-hydroxy-3-(4-phenoxyphenyl)butanamide
SMILESCC(O)(CC(N)=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H17NO3/c1-16(19,11-15(17)18)12-7-9-14(10-8-12)20-13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H2,17,18)
InChIKeyZYOFOHVQVGZAHB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.56
Rot. Bonds5

About 3-hydroxy-3-(4-phenoxyphenyl)butanamide

3-hydroxy-3-(4-phenoxyphenyl)butanamide (PubChem CID 54572878) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-hydroxy-3-(4-phenoxyphenyl)butanamide.

Molecular Properties

Compound Name3-hydroxy-3-(4-phenoxyphenyl)butanamide
PubChem CID54572878
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-hydroxy-3-(4-phenoxyphenyl)butanamide
SMILESCC(O)(CC(N)=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H17NO3/c1-16(19,11-15(17)18)12-7-9-14(10-8-12)20-13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H2,17,18)
InChIKeyZYOFOHVQVGZAHB-UHFFFAOYSA-N
XLogP2.56
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-7-(4-phenylphenoxy)heptanamide
CID 22915465
2-Oxo-8-(4-phenylphenoxy)octanamide
CID 44340841
3,5-Bis(4-methoxyphenyl)pentanimidic acid
CID 3058591
3-(4-Methoxyphenyl)-5-(4-phenoxyphenyl)pentanimidic acid
CID 3058598
5-(4-Ethoxyphenyl)-3-(4-methoxyphenyl)pentanimidic acid
CID 3058599
N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 72707666
N,3-dihydroxy-N-methyl-3-(4-phenylmethoxyphenyl)propanamide
CID 155546770
1-[(4-Benzyloxyphenyl)-dimethylaminocarbonyl-methyl]cyclohexanol
CID 20129924
2-Carbamoyl-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid
CID 9969568
3-[4-[1-(4-fluorophenyl)ethoxy]phenyl]-N-hydroxybutanamide
CID 19868736
4-Amino-2-[4-(4-fluorophenoxy)phenyl]butan-2-ol
CID 20302280
N-[3-[4-(4-fluorophenoxy)phenyl]-3-hydroxybutyl]acetamide
CID 20302284

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(4-phenoxyphenyl)butanamide?
The IUPAC name of 3-hydroxy-3-(4-phenoxyphenyl)butanamide (CID 54572878) is 3-hydroxy-3-(4-phenoxyphenyl)butanamide.
What is the SMILES notation for 3-hydroxy-3-(4-phenoxyphenyl)butanamide?
The canonical SMILES for 3-hydroxy-3-(4-phenoxyphenyl)butanamide is CC(O)(CC(N)=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-hydroxy-3-(4-phenoxyphenyl)butanamide?
The InChIKey is ZYOFOHVQVGZAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-16(19,11-15(17)18)12-7-9-14(10-8-12)20-13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H2,17,18).
What are the key properties of 3-hydroxy-3-(4-phenoxyphenyl)butanamide?
3-hydroxy-3-(4-phenoxyphenyl)butanamide has a molecular weight of 271.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(4-phenoxyphenyl)butanamide is sourced from PubChem (CID 54572878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).