4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide

C12H17NO2 — CID 174318100

IUPAC4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide
SMILESCc1ccccc1C(O)CC(C)C(N)=O
InChIInChI=1S/C12H17NO2/c1-8-5-3-4-6-10(8)11(14)7-9(2)12(13)15/h3-6,9,11,14H,7H2,1-2H3,(H2,13,15)
InChIKeyXAOWHUOFHLKVDP-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.54
Rot. Bonds4

About 4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide

4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide (PubChem CID 174318100) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide
PubChem CID174318100
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide
SMILESCc1ccccc1C(O)CC(C)C(N)=O
InChIInChI=1S/C12H17NO2/c1-8-5-3-4-6-10(8)11(14)7-9(2)12(13)15/h3-6,9,11,14H,7H2,1-2H3,(H2,13,15)
InChIKeyXAOWHUOFHLKVDP-UHFFFAOYSA-N
XLogP1.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)propanamide;dihydrochloride
CID 162317897
(1S,3S)-3-amino-4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
CID 171237034
(1R,3R)-3-amino-4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
CID 171237646
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide
CID 81375406
2-bromo-2-(2-methylphenyl)acetamide
CID 19981756
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride
CID 54593844
3-methyl-4-(2-methylphenyl)pentanamide
CID 175805571
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81375516
ethane;methyl 3-hydroxy-3-(2-methylphenyl)propanoate
CID 144861707
1-amino-1-(2-methylphenyl)propan-2-one
CID 55295097

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide?
The IUPAC name of 4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide (CID 174318100) is 4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide.
What is the SMILES notation for 4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide?
The canonical SMILES for 4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide is Cc1ccccc1C(O)CC(C)C(N)=O.
What is the InChIKey of 4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide?
The InChIKey is XAOWHUOFHLKVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-5-3-4-6-10(8)11(14)7-9(2)12(13)15/h3-6,9,11,14H,7H2,1-2H3,(H2,13,15).
What are the key properties of 4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide?
4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide has a molecular weight of 207.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide is sourced from PubChem (CID 174318100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).