N-(2,4,6-tritert-butylphenyl)acetamide

C20H33NO — CID 18630349

IUPACN-(2,4,6-tritert-butylphenyl)acetamide
SMILESCC(=O)Nc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C20H33NO/c1-13(22)21-17-15(19(5,6)7)11-14(18(2,3)4)12-16(17)20(8,9)10/h11-12H,1-10H3,(H,21,22)
InChIKeyOSIMQUOPJUILLV-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.54
Rot. Bonds1

About N-(2,4,6-tritert-butylphenyl)acetamide

N-(2,4,6-tritert-butylphenyl)acetamide (PubChem CID 18630349) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is N-(2,4,6-tritert-butylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,4,6-tritert-butylphenyl)acetamide
PubChem CID18630349
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC NameN-(2,4,6-tritert-butylphenyl)acetamide
SMILESCC(=O)Nc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C20H33NO/c1-13(22)21-17-15(19(5,6)7)11-14(18(2,3)4)12-16(17)20(8,9)10/h11-12H,1-10H3,(H,21,22)
InChIKeyOSIMQUOPJUILLV-UHFFFAOYSA-N
XLogP5.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-tritert-butylphenyl)acetamide?
The IUPAC name of N-(2,4,6-tritert-butylphenyl)acetamide (CID 18630349) is N-(2,4,6-tritert-butylphenyl)acetamide.
What is the SMILES notation for N-(2,4,6-tritert-butylphenyl)acetamide?
The canonical SMILES for N-(2,4,6-tritert-butylphenyl)acetamide is CC(=O)Nc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of N-(2,4,6-tritert-butylphenyl)acetamide?
The InChIKey is OSIMQUOPJUILLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-13(22)21-17-15(19(5,6)7)11-14(18(2,3)4)12-16(17)20(8,9)10/h11-12H,1-10H3,(H,21,22).
What are the key properties of N-(2,4,6-tritert-butylphenyl)acetamide?
N-(2,4,6-tritert-butylphenyl)acetamide has a molecular weight of 303.49 g/mol, XLogP of 5.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-tritert-butylphenyl)acetamide is sourced from PubChem (CID 18630349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).