N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide

C13H19NO3 — CID 65114465

IUPACN-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
SMILESCCC(C)(O)CNC(=O)COc1ccccc1
InChIInChI=1S/C13H19NO3/c1-3-13(2,16)10-14-12(15)9-17-11-7-5-4-6-8-11/h4-8,16H,3,9-10H2,1-2H3,(H,14,15)
InChIKeyMYLUPDGXSNROGT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.34
Rot. Bonds6

About N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide

N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide (PubChem CID 65114465) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
PubChem CID65114465
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
SMILESCCC(C)(O)CNC(=O)COc1ccccc1
InChIInChI=1S/C13H19NO3/c1-3-13(2,16)10-14-12(15)9-17-11-7-5-4-6-8-11/h4-8,16H,3,9-10H2,1-2H3,(H,14,15)
InChIKeyMYLUPDGXSNROGT-UHFFFAOYSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 66169825
N-[2,2-dimethyl-3-(methylamino)propyl]-2-phenoxyacetamide
CID 115267300
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide
CID 99872555
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenoxy)acetamide
CID 66170410
3-hydroxy-3-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid
CID 66003112
3-hydroxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 66001139
2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114746
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 95367989
3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700980
4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003114
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide
CID 66168988

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide (CID 65114465) is N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide is CCC(C)(O)CNC(=O)COc1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide?
The InChIKey is MYLUPDGXSNROGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-13(2,16)10-14-12(15)9-17-11-7-5-4-6-8-11/h4-8,16H,3,9-10H2,1-2H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide?
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide has a molecular weight of 237.30 g/mol, XLogP of 1.34, 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-methylbutyl)-2-phenoxyacetamide is sourced from PubChem (CID 65114465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).