2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide

C18H21NO2 — CID 78807076

IUPAC2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide
SMILESCCC(CNC(=O)Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-15(16-6-4-3-5-7-16)13-19-18(21)12-14-8-10-17(20)11-9-14/h3-11,15,20H,2,12-13H2,1H3,(H,19,21)
InChIKeyNKHOQJHIGYFRET-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.24
Rot. Bonds6

About 2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide

2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide (PubChem CID 78807076) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide
PubChem CID78807076
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide
SMILESCCC(CNC(=O)Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-15(16-6-4-3-5-7-16)13-19-18(21)12-14-8-10-17(20)11-9-14/h3-11,15,20H,2,12-13H2,1H3,(H,19,21)
InChIKeyNKHOQJHIGYFRET-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide
CID 43017681
N-[2-oxo-2-(2-phenylbutylamino)ethyl]-2-phenylacetamide
CID 51252058
N-(2,2-diphenylethyl)-2-(4-hydroxyphenyl)acetamide
CID 78806805
5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide
CID 27862886
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049
2-phenylbutylurea
CID 137320233
5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide
CID 26007657
4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
CID 119271718
N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide
CID 78801224
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
CID 35625599
3-(1,3-benzodioxol-5-yl)-N-(2-phenylbutyl)propanamide
CID 46657659
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide (CID 78807076) is 2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide is CCC(CNC(=O)Cc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide?
The InChIKey is NKHOQJHIGYFRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-15(16-6-4-3-5-7-16)13-19-18(21)12-14-8-10-17(20)11-9-14/h3-11,15,20H,2,12-13H2,1H3,(H,19,21).
What are the key properties of 2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide?
2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide has a molecular weight of 283.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide is sourced from PubChem (CID 78807076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).