N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide

C14H21NO4 — CID 65113679

IUPACN-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
SMILESCCC(O)(CC)CNC(=O)COc1ccccc1O
InChIInChI=1S/C14H21NO4/c1-3-14(18,4-2)10-15-13(17)9-19-12-8-6-5-7-11(12)16/h5-8,16,18H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyIQAZFIOHUCZWFJ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.44
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide

N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide (PubChem CID 65113679) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
PubChem CID65113679
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
SMILESCCC(O)(CC)CNC(=O)COc1ccccc1O
InChIInChI=1S/C14H21NO4/c1-3-14(18,4-2)10-15-13(17)9-19-12-8-6-5-7-11(12)16/h5-8,16,18H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyIQAZFIOHUCZWFJ-UHFFFAOYSA-N
XLogP1.44
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822579
2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121
2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113681
methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate
CID 60637211
2-(2-aminophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103907
N-(2-amino-2-ethylbutyl)-2-(2-chlorophenoxy)acetamide
CID 119641891
N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
CID 106843375
2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide
CID 106289602
N-(2-amino-2-ethylbutyl)-2-naphthalen-1-yloxyacetamide
CID 119641906
N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119642652
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide (CID 65113679) is N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide is CCC(O)(CC)CNC(=O)COc1ccccc1O.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide?
The InChIKey is IQAZFIOHUCZWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-14(18,4-2)10-15-13(17)9-19-12-8-6-5-7-11(12)16/h5-8,16,18H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide?
N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide has a molecular weight of 267.32 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide is sourced from PubChem (CID 65113679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).