N-acetyl-2-(4-tert-butylphenyl)butanamide

C16H23NO2 — CID 166549728

IUPACN-acetyl-2-(4-tert-butylphenyl)butanamide
SMILESCCC(C(=O)NC(C)=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-6-14(15(19)17-11(2)18)12-7-9-13(10-8-12)16(3,4)5/h7-10,14H,6H2,1-5H3,(H,17,18,19)
InChIKeyQWEFKUJAIDAZTE-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.14
Rot. Bonds3

About N-acetyl-2-(4-tert-butylphenyl)butanamide

N-acetyl-2-(4-tert-butylphenyl)butanamide (PubChem CID 166549728) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-acetyl-2-(4-tert-butylphenyl)butanamide.

Molecular Properties

Compound NameN-acetyl-2-(4-tert-butylphenyl)butanamide
PubChem CID166549728
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-acetyl-2-(4-tert-butylphenyl)butanamide
SMILESCCC(C(=O)NC(C)=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-6-14(15(19)17-11(2)18)12-7-9-13(10-8-12)16(3,4)5/h7-10,14H,6H2,1-5H3,(H,17,18,19)
InChIKeyQWEFKUJAIDAZTE-UHFFFAOYSA-N
XLogP3.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(4-tert-butylphenyl)butanamide?
The IUPAC name of N-acetyl-2-(4-tert-butylphenyl)butanamide (CID 166549728) is N-acetyl-2-(4-tert-butylphenyl)butanamide.
What is the SMILES notation for N-acetyl-2-(4-tert-butylphenyl)butanamide?
The canonical SMILES for N-acetyl-2-(4-tert-butylphenyl)butanamide is CCC(C(=O)NC(C)=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-acetyl-2-(4-tert-butylphenyl)butanamide?
The InChIKey is QWEFKUJAIDAZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-6-14(15(19)17-11(2)18)12-7-9-13(10-8-12)16(3,4)5/h7-10,14H,6H2,1-5H3,(H,17,18,19).
What are the key properties of N-acetyl-2-(4-tert-butylphenyl)butanamide?
N-acetyl-2-(4-tert-butylphenyl)butanamide has a molecular weight of 261.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-(4-tert-butylphenyl)butanamide is sourced from PubChem (CID 166549728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).