2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide

C15H23NO3 — CID 115968921

IUPAC2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
SMILESCc1cccc(OCC(=O)NC(C)(C)CCO)c1C
InChIInChI=1S/C15H23NO3/c1-11-6-5-7-13(12(11)2)19-10-14(18)16-15(3,4)8-9-17/h5-7,17H,8-10H2,1-4H3,(H,16,18)
InChIKeyURDSAPXZNJSFDF-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.96
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide

2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide (PubChem CID 115968921) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
PubChem CID115968921
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
SMILESCc1cccc(OCC(=O)NC(C)(C)CCO)c1C
InChIInChI=1S/C15H23NO3/c1-11-6-5-7-13(12(11)2)19-10-14(18)16-15(3,4)8-9-17/h5-7,17H,8-10H2,1-4H3,(H,16,18)
InChIKeyURDSAPXZNJSFDF-UHFFFAOYSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8581903
2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899529
2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106352989
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115869894
3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115969023
2-(2,3-dimethylphenoxy)-N-methoxyacetamide
CID 60717689
N-(1-amino-2-methylpropan-2-yl)-2-(2-methylphenoxy)acetamide
CID 110834301
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoic acid
CID 9156872
N-(1-amino-2-methylpropan-2-yl)-2-(3-chloro-2-methylphenoxy)acetamide
CID 119524681
1-[(2,3-dimethylphenoxy)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108878533
N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 113343242
1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754138

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide (CID 115968921) is 2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide is Cc1cccc(OCC(=O)NC(C)(C)CCO)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide?
The InChIKey is URDSAPXZNJSFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-6-5-7-13(12(11)2)19-10-14(18)16-15(3,4)8-9-17/h5-7,17H,8-10H2,1-4H3,(H,16,18).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide?
2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide has a molecular weight of 265.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 115968921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).