N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide

C16H25NO2 — CID 115163000

IUPACN-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide
SMILESCc1cc(C(C)(C)C)ccc1CNC(=O)CCCO
InChIInChI=1S/C16H25NO2/c1-12-10-14(16(2,3)4)8-7-13(12)11-17-15(19)6-5-9-18/h7-8,10,18H,5-6,9,11H2,1-4H3,(H,17,19)
InChIKeyQYCLGHZVTUWWFN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.68
Rot. Bonds5

About N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide

N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide (PubChem CID 115163000) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide
PubChem CID115163000
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide
SMILESCc1cc(C(C)(C)C)ccc1CNC(=O)CCCO
InChIInChI=1S/C16H25NO2/c1-12-10-14(16(2,3)4)8-7-13(12)11-17-15(19)6-5-9-18/h7-8,10,18H,5-6,9,11H2,1-4H3,(H,17,19)
InChIKeyQYCLGHZVTUWWFN-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butyl-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162010
4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide
CID 116846533
2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
CID 115152398
N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide
CID 115139038
2-(4-tert-butyl-2-methylphenyl)-N-(cyanomethyl)acetamide
CID 82478649
N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140102
N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
CID 82470206
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722
4-(4-tert-butyl-2-methylphenyl)butanoic acid
CID 82496433
4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide
CID 115163128
2-cyano-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]acetamide
CID 99830862
N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 115163181

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide?
The IUPAC name of N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide (CID 115163000) is N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide?
The canonical SMILES for N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide is Cc1cc(C(C)(C)C)ccc1CNC(=O)CCCO.
What is the InChIKey of N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide?
The InChIKey is QYCLGHZVTUWWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-10-14(16(2,3)4)8-7-13(12)11-17-15(19)6-5-9-18/h7-8,10,18H,5-6,9,11H2,1-4H3,(H,17,19).
What are the key properties of N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide?
N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide has a molecular weight of 263.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide is sourced from PubChem (CID 115163000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).