N,2-dihydroxy-2-methyl-4-phenylbutanamide

C11H15NO3 — CID 18686340

IUPACN,2-dihydroxy-2-methyl-4-phenylbutanamide
SMILESCC(O)(CCc1ccccc1)C(=O)NO
InChIInChI=1S/C11H15NO3/c1-11(14,10(13)12-15)8-7-9-5-3-2-4-6-9/h2-6,14-15H,7-8H2,1H3,(H,12,13)
InChIKeyNATDJVYLVFUABW-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.88
Rot. Bonds4

About N,2-dihydroxy-2-methyl-4-phenylbutanamide

N,2-dihydroxy-2-methyl-4-phenylbutanamide (PubChem CID 18686340) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is N,2-dihydroxy-2-methyl-4-phenylbutanamide.

Molecular Properties

Compound NameN,2-dihydroxy-2-methyl-4-phenylbutanamide
PubChem CID18686340
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC NameN,2-dihydroxy-2-methyl-4-phenylbutanamide
SMILESCC(O)(CCc1ccccc1)C(=O)NO
InChIInChI=1S/C11H15NO3/c1-11(14,10(13)12-15)8-7-9-5-3-2-4-6-9/h2-6,14-15H,7-8H2,1H3,(H,12,13)
InChIKeyNATDJVYLVFUABW-UHFFFAOYSA-N
XLogP0.88
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane
CID 144791814
4-hydroxy-4-methyl-6-phenylhexan-3-one
CID 145233910
(2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide
CID 129406934
2,2-dimethyl-4-phenylbutanoyl chloride
CID 121009879
4-hydroxy-4-methyl-6-phenylhexan-2-one
CID 101034765
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164
2,2-dihydroxy-4-phenylbutanoic acid
CID 54448569
2-hydroxy-2-methyl-4-phenylbutanal
CID 10241365
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
3,3-dimethyl-5-phenylpentanoic acid;ethane;propane
CID 142907500
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
2-methyl-3-oxo-2-(2-phenylethyl)butanoic acid
CID 174626222

Frequently Asked Questions

What is the IUPAC name of N,2-dihydroxy-2-methyl-4-phenylbutanamide?
The IUPAC name of N,2-dihydroxy-2-methyl-4-phenylbutanamide (CID 18686340) is N,2-dihydroxy-2-methyl-4-phenylbutanamide.
What is the SMILES notation for N,2-dihydroxy-2-methyl-4-phenylbutanamide?
The canonical SMILES for N,2-dihydroxy-2-methyl-4-phenylbutanamide is CC(O)(CCc1ccccc1)C(=O)NO.
What is the InChIKey of N,2-dihydroxy-2-methyl-4-phenylbutanamide?
The InChIKey is NATDJVYLVFUABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(14,10(13)12-15)8-7-9-5-3-2-4-6-9/h2-6,14-15H,7-8H2,1H3,(H,12,13).
What are the key properties of N,2-dihydroxy-2-methyl-4-phenylbutanamide?
N,2-dihydroxy-2-methyl-4-phenylbutanamide has a molecular weight of 209.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dihydroxy-2-methyl-4-phenylbutanamide is sourced from PubChem (CID 18686340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).