3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

C17H27NO2 — CID 103772275

IUPAC3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
SMILESCCc1ccc(CCC(=O)NCC(C)(C)CCO)cc1
InChIInChI=1S/C17H27NO2/c1-4-14-5-7-15(8-6-14)9-10-16(20)18-13-17(2,3)11-12-19/h5-8,19H,4,9-13H2,1-3H3,(H,18,20)
InChIKeyHVASTAFMCRTJSL-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.71
Rot. Bonds8

About 3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide (PubChem CID 103772275) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
PubChem CID103772275
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
SMILESCCc1ccc(CCC(=O)NCC(C)(C)CCO)cc1
InChIInChI=1S/C17H27NO2/c1-4-14-5-7-15(8-6-14)9-10-16(20)18-13-17(2,3)11-12-19/h5-8,19H,4,9-13H2,1-3H3,(H,18,20)
InChIKeyHVASTAFMCRTJSL-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide
CID 115271070
N-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide
CID 103772608
4-[3-(4-ethylphenyl)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002697
N-(4-bromo-2,2-dimethylbutyl)-3-(4-methylphenyl)propanamide
CID 114149427
3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115357817
N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide
CID 115364619
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506397
3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106145976
N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide
CID 115364651
1-[3-(4-chlorophenyl)propyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111505637
3-(4-ethylphenyl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64557976
N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide
CID 66171129

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide (CID 103772275) is 3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide is CCc1ccc(CCC(=O)NCC(C)(C)CCO)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The InChIKey is HVASTAFMCRTJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-14-5-7-15(8-6-14)9-10-16(20)18-13-17(2,3)11-12-19/h5-8,19H,4,9-13H2,1-3H3,(H,18,20).
What are the key properties of 3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide is sourced from PubChem (CID 103772275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).