N-(2-tert-butyl-4,6-dimethylphenyl)acetamide

C14H21NO — CID 517940

IUPACN-(2-tert-butyl-4,6-dimethylphenyl)acetamide
SMILESCC(=O)Nc1c(C)cc(C)cc1C(C)(C)C
InChIInChI=1S/C14H21NO/c1-9-7-10(2)13(15-11(3)16)12(8-9)14(4,5)6/h7-8H,1-6H3,(H,15,16)
InChIKeyFVHRNYIVAVWDKU-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.56
Rot. Bonds1

About N-(2-tert-butyl-4,6-dimethylphenyl)acetamide

N-(2-tert-butyl-4,6-dimethylphenyl)acetamide (PubChem CID 517940) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2-tert-butyl-4,6-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4,6-dimethylphenyl)acetamide
PubChem CID517940
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(2-tert-butyl-4,6-dimethylphenyl)acetamide
SMILESCC(=O)Nc1c(C)cc(C)cc1C(C)(C)C
InChIInChI=1S/C14H21NO/c1-9-7-10(2)13(15-11(3)16)12(8-9)14(4,5)6/h7-8H,1-6H3,(H,15,16)
InChIKeyFVHRNYIVAVWDKU-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4,6-dimethylphenyl)acetamide?
The IUPAC name of N-(2-tert-butyl-4,6-dimethylphenyl)acetamide (CID 517940) is N-(2-tert-butyl-4,6-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-tert-butyl-4,6-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-tert-butyl-4,6-dimethylphenyl)acetamide is CC(=O)Nc1c(C)cc(C)cc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butyl-4,6-dimethylphenyl)acetamide?
The InChIKey is FVHRNYIVAVWDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-7-10(2)13(15-11(3)16)12(8-9)14(4,5)6/h7-8H,1-6H3,(H,15,16).
What are the key properties of N-(2-tert-butyl-4,6-dimethylphenyl)acetamide?
N-(2-tert-butyl-4,6-dimethylphenyl)acetamide has a molecular weight of 219.33 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4,6-dimethylphenyl)acetamide is sourced from PubChem (CID 517940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).