N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide

C14H21NO3 — CID 103772553

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide
SMILESCC(C)(CCO)CNC(=O)Cc1ccccc1O
InChIInChI=1S/C14H21NO3/c1-14(2,7-8-16)10-15-13(18)9-11-5-3-4-6-12(11)17/h3-6,16-17H,7-10H2,1-2H3,(H,15,18)
InChIKeyILEOIDLUSPRGPE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.46
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide

N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide (PubChem CID 103772553) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide
PubChem CID103772553
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide
SMILESCC(C)(CCO)CNC(=O)Cc1ccccc1O
InChIInChI=1S/C14H21NO3/c1-14(2,7-8-16)10-15-13(18)9-11-5-3-4-6-12(11)17/h3-6,16-17H,7-10H2,1-2H3,(H,15,18)
InChIKeyILEOIDLUSPRGPE-UHFFFAOYSA-N
XLogP1.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 103901151
2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103824976
2-(2-hydroxyphenyl)-N-(2,2,3-trimethylbutyl)acetamide
CID 102673574
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 103772365
2-anilino-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 106148046
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 103772449
N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide
CID 106147962
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 103772274
2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
2-(2-hydroxyphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 78963260
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-nitrophenyl)acetamide
CID 103772956
N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide
CID 103899612

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide (CID 103772553) is N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide is CC(C)(CCO)CNC(=O)Cc1ccccc1O.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide?
The InChIKey is ILEOIDLUSPRGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,7-8-16)10-15-13(18)9-11-5-3-4-6-12(11)17/h3-6,16-17H,7-10H2,1-2H3,(H,15,18).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide?
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 103772553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).