2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide

C20H25NO2 — CID 130456540

IUPAC2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide
SMILESCCC(C)(C)Cc1ccc(C(O)(C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-4-19(2,3)14-15-10-12-17(13-11-15)20(23,18(21)22)16-8-6-5-7-9-16/h5-13,23H,4,14H2,1-3H3,(H2,21,22)
InChIKeySNOCOXNSQJMWDH-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.39
Rot. Bonds6

About 2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide

2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide (PubChem CID 130456540) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide
PubChem CID130456540
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide
SMILESCCC(C)(C)Cc1ccc(C(O)(C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-4-19(2,3)14-15-10-12-17(13-11-15)20(23,18(21)22)16-8-6-5-7-9-16/h5-13,23H,4,14H2,1-3H3,(H2,21,22)
InChIKeySNOCOXNSQJMWDH-UHFFFAOYSA-N
XLogP3.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(4-cyanophenyl)-2-hydroxy-2-phenylacetamide
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2-(3,4-difluorophenyl)-2-hydroxy-2-phenylacetamide
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2-hydroxy-2-(4-nitrophenyl)-2-phenylacetamide
CID 18510702
2-[(4-tert-butylphenyl)methyl]-2-ethylbutanoic acid
CID 63402911
2-(ethylamino)-2,3-diphenylpropanamide
CID 60787050
(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 146163800
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanoic acid
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carbonic acid;1-phenylpropane-1,1-diol
CID 158239997

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of 2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide (CID 130456540) is 2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for 2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for 2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide is CCC(C)(C)Cc1ccc(C(O)(C(N)=O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is SNOCOXNSQJMWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-19(2,3)14-15-10-12-17(13-11-15)20(23,18(21)22)16-8-6-5-7-9-16/h5-13,23H,4,14H2,1-3H3,(H2,21,22).
What are the key properties of 2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide?
2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 311.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 130456540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).