N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide

C15H23NO2 — CID 115140102

IUPACN-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide
SMILESCc1cc(C(C)(C)C)ccc1CCNC(=O)CO
InChIInChI=1S/C15H23NO2/c1-11-9-13(15(2,3)4)6-5-12(11)7-8-16-14(18)10-17/h5-6,9,17H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyZHXQVQYPMHAGKU-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.94
Rot. Bonds4

About N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide

N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide (PubChem CID 115140102) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide
PubChem CID115140102
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide
SMILESCc1cc(C(C)(C)C)ccc1CCNC(=O)CO
InChIInChI=1S/C15H23NO2/c1-11-9-13(15(2,3)4)6-5-12(11)7-8-16-14(18)10-17/h5-6,9,17H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyZHXQVQYPMHAGKU-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butyl-2-methylphenyl)ethylcarbamothioic S-acid
CID 115170312
2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide
CID 115152518
N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-1-cyanoformamide
CID 115172539
N-[(4-tert-butyl-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162010
4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide
CID 116846533
4-(4-tert-butyl-2-methylphenyl)butanoic acid
CID 82496433
N-[2-(2,4-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167356
2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
CID 82109034
N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide
CID 115163000
2-(4-tert-butyl-2-methylphenyl)-N-(cyanomethyl)acetamide
CID 82478649
2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide
CID 5014874
2-amino-3-[2-(4-tert-butyl-2-methylphenyl)ethylamino]propan-1-ol
CID 115120856

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide?
The IUPAC name of N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide (CID 115140102) is N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide?
The canonical SMILES for N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide is Cc1cc(C(C)(C)C)ccc1CCNC(=O)CO.
What is the InChIKey of N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide?
The InChIKey is ZHXQVQYPMHAGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-9-13(15(2,3)4)6-5-12(11)7-8-16-14(18)10-17/h5-6,9,17H,7-8,10H2,1-4H3,(H,16,18).
What are the key properties of N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide?
N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide has a molecular weight of 249.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide is sourced from PubChem (CID 115140102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).