N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide

C18H23NO3 — CID 111483554

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide
SMILESCC(C)C(C)(O)CNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C18H23NO3/c1-13(2)18(3,21)12-19-17(20)11-22-16-9-8-14-6-4-5-7-15(14)10-16/h4-10,13,21H,11-12H2,1-3H3,(H,19,20)
InChIKeyNQEFMDBSXMXART-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.74
Rot. Bonds6

About N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide

N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide (PubChem CID 111483554) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide
PubChem CID111483554
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide
SMILESCC(C)C(C)(O)CNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C18H23NO3/c1-13(2)18(3,21)12-19-17(20)11-22-16-9-8-14-6-4-5-7-15(14)10-16/h4-10,13,21H,11-12H2,1-3H3,(H,19,20)
InChIKeyNQEFMDBSXMXART-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide
CID 71787198
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-naphthalen-2-yloxyacetamide
CID 95984383
N-(2-amino-2-ethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 119639639
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-propan-2-ylacetamide
CID 17479065
N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-yloxyacetamide
CID 119605476
2-naphthalen-2-yloxy-N-[2-[(2-naphthalen-2-yloxyacetyl)amino]propyl]acetamide
CID 3635526
2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 90498004
N-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-2-yloxyacetamide
CID 8919238
N-(cyanomethyl)-2-naphthalen-2-yloxyacetamide
CID 51103110
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082
N-[(2R)-3-methylbutan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 26218455
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-naphthalen-2-yloxyacetamide
CID 90599167

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide (CID 111483554) is N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide is CC(C)C(C)(O)CNC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is NQEFMDBSXMXART-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13(2)18(3,21)12-19-17(20)11-22-16-9-8-14-6-4-5-7-15(14)10-16/h4-10,13,21H,11-12H2,1-3H3,(H,19,20).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide?
N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 301.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 111483554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).