4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide

C14H21NO2 — CID 79019177

IUPAC4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCCO
InChIInChI=1S/C14H21NO2/c1-10(2)12-7-4-6-11(3)14(12)15-13(17)8-5-9-16/h4,6-7,10,16H,5,8-9H2,1-3H3,(H,15,17)
InChIKeyYYJKNPGDIKTPEH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.83
Rot. Bonds5

About 4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide

4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide (PubChem CID 79019177) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
PubChem CID79019177
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCCO
InChIInChI=1S/C14H21NO2/c1-10(2)12-7-4-6-11(3)14(12)15-13(17)8-5-9-16/h4,6-7,10,16H,5,8-9H2,1-3H3,(H,15,17)
InChIKeyYYJKNPGDIKTPEH-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide
CID 112789085
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide
CID 108796274
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 7790411
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 3634082
3-(furan-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 18084161
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
The IUPAC name of 4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide (CID 79019177) is 4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
The canonical SMILES for 4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide is Cc1cccc(C(C)C)c1NC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
The InChIKey is YYJKNPGDIKTPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)12-7-4-6-11(3)14(12)15-13(17)8-5-9-16/h4,6-7,10,16H,5,8-9H2,1-3H3,(H,15,17).
What are the key properties of 4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide has a molecular weight of 235.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 79019177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).