3-(4-tert-butylphenyl)-2-hydroxypropanamide

C13H19NO2 — CID 69343223

IUPAC3-(4-tert-butylphenyl)-2-hydroxypropanamide
SMILESCC(C)(C)c1ccc(CC(O)C(N)=O)cc1
InChIInChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)8-11(15)12(14)16/h4-7,11,15H,8H2,1-3H3,(H2,14,16)
InChIKeyYWEPMEBIWYFCHH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.37
Rot. Bonds3

About 3-(4-tert-butylphenyl)-2-hydroxypropanamide

3-(4-tert-butylphenyl)-2-hydroxypropanamide (PubChem CID 69343223) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-hydroxypropanamide
PubChem CID69343223
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(4-tert-butylphenyl)-2-hydroxypropanamide
SMILESCC(C)(C)c1ccc(CC(O)C(N)=O)cc1
InChIInChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)8-11(15)12(14)16/h4-7,11,15H,8H2,1-3H3,(H2,14,16)
InChIKeyYWEPMEBIWYFCHH-UHFFFAOYSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid
CID 174822105
ethyl (3S)-4-(4-tert-butylphenyl)-3-hydroxybutanoate
CID 125465976
(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane
CID 143606958
3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide
CID 68577173
diethyl 2-[(4-tert-butylphenyl)methyl]propanedioate
CID 15767037
3-(4-tert-butylphenyl)-2-chloropropanoyl chloride
CID 82054690
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165
2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide
CID 116850478
[(2E)-2-ethenylpenta-2,4-dienyl] 3-(4-tert-butylphenyl)-2-hydroxypropanoate
CID 145191994
2-hydroxy-3-[4-(3-phenylprop-2-enyl)phenyl]propanamide
CID 70086385
(2R)-3-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-ol
CID 94905405
4-amino-5-(4-tert-butylphenyl)pentanoic acid
CID 62961688

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2-hydroxypropanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-2-hydroxypropanamide (CID 69343223) is 3-(4-tert-butylphenyl)-2-hydroxypropanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-hydroxypropanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-hydroxypropanamide is CC(C)(C)c1ccc(CC(O)C(N)=O)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-hydroxypropanamide?
The InChIKey is YWEPMEBIWYFCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)8-11(15)12(14)16/h4-7,11,15H,8H2,1-3H3,(H2,14,16).
What are the key properties of 3-(4-tert-butylphenyl)-2-hydroxypropanamide?
3-(4-tert-butylphenyl)-2-hydroxypropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2-hydroxypropanamide is sourced from PubChem (CID 69343223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).