N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide

C14H21NO2 — CID 111464644

IUPACN-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide
SMILESCC(NC(=O)C(O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H21NO2/c1-10(14(2,3)4)15-13(17)12(16)11-8-6-5-7-9-11/h5-10,12,16H,1-4H3,(H,15,17)
InChIKeyLKRMJNWBONOXOF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.27
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide

N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide (PubChem CID 111464644) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide
PubChem CID111464644
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide
SMILESCC(NC(=O)C(O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H21NO2/c1-10(14(2,3)4)15-13(17)12(16)11-8-6-5-7-9-11/h5-10,12,16H,1-4H3,(H,15,17)
InChIKeyLKRMJNWBONOXOF-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide 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

(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid
CID 14503812
N-butan-2-yl-2-hydroxy-2-phenylacetamide
CID 60674876
(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776
2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide
CID 110879934
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
CID 110884058
2-hydroxy-N',N'-dimethyl-2-phenylacetohydrazide
CID 11298492
2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylsulfanylpropanoic acid
CID 69256351
N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide
CID 153456545
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride
CID 119290104

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide (CID 111464644) is N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide is CC(NC(=O)C(O)c1ccccc1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide?
The InChIKey is LKRMJNWBONOXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(14(2,3)4)15-13(17)12(16)11-8-6-5-7-9-11/h5-10,12,16H,1-4H3,(H,15,17).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide?
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide has a molecular weight of 235.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 111464644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).