N-(4-hydroxyphenyl)-2-phenylbutanamide

C16H17NO2 — CID 17708

IUPACN-(4-hydroxyphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-2-15(12-6-4-3-5-7-12)16(19)17-13-8-10-14(18)11-9-13/h3-11,15,18H,2H2,1H3,(H,17,19)
InChIKeyCABKEOHFJPXTDL-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.52
Rot. Bonds4

About N-(4-hydroxyphenyl)-2-phenylbutanamide

N-(4-hydroxyphenyl)-2-phenylbutanamide (PubChem CID 17708) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-phenylbutanamide
PubChem CID17708
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-(4-hydroxyphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-2-15(12-6-4-3-5-7-12)16(19)17-13-8-10-14(18)11-9-13/h3-11,15,18H,2H2,1H3,(H,17,19)
InChIKeyCABKEOHFJPXTDL-UHFFFAOYSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
2-phenyl-N-pyridin-1-ium-4-ylbutanamide
CID 3621180
2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate
CID 6955755
N-(4-cyanophenyl)-2-phenylbutanamide
CID 4632444
3-[4-(2-phenylbutanoylamino)phenyl]propanoic acid
CID 119252366
N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide
CID 121063165
(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 7957205
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide
CID 6465200
2-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 17147291

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-phenylbutanamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-phenylbutanamide (CID 17708) is N-(4-hydroxyphenyl)-2-phenylbutanamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-phenylbutanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-phenylbutanamide is CCC(C(=O)Nc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-phenylbutanamide?
The InChIKey is CABKEOHFJPXTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-15(12-6-4-3-5-7-12)16(19)17-13-8-10-14(18)11-9-13/h3-11,15,18H,2H2,1H3,(H,17,19).
What are the key properties of N-(4-hydroxyphenyl)-2-phenylbutanamide?
N-(4-hydroxyphenyl)-2-phenylbutanamide has a molecular weight of 255.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-phenylbutanamide is sourced from PubChem (CID 17708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).