N-(2-acetyl-5-tert-butylphenyl)propanamide

C15H21NO2 — CID 605699

IUPACN-(2-acetyl-5-tert-butylphenyl)propanamide
SMILESCCC(=O)Nc1cc(C(C)(C)C)ccc1C(C)=O
InChIInChI=1S/C15H21NO2/c1-6-14(18)16-13-9-11(15(3,4)5)7-8-12(13)10(2)17/h7-9H,6H2,1-5H3,(H,16,18)
InChIKeyXISAPBZGVIHRHA-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.54
Rot. Bonds3

About N-(2-acetyl-5-tert-butylphenyl)propanamide

N-(2-acetyl-5-tert-butylphenyl)propanamide (PubChem CID 605699) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-acetyl-5-tert-butylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-acetyl-5-tert-butylphenyl)propanamide
PubChem CID605699
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2-acetyl-5-tert-butylphenyl)propanamide
SMILESCCC(=O)Nc1cc(C(C)(C)C)ccc1C(C)=O
InChIInChI=1S/C15H21NO2/c1-6-14(18)16-13-9-11(15(3,4)5)7-8-12(13)10(2)17/h7-9H,6H2,1-5H3,(H,16,18)
InChIKeyXISAPBZGVIHRHA-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-5-tert-butylphenyl)propanamide?
The IUPAC name of N-(2-acetyl-5-tert-butylphenyl)propanamide (CID 605699) is N-(2-acetyl-5-tert-butylphenyl)propanamide.
What is the SMILES notation for N-(2-acetyl-5-tert-butylphenyl)propanamide?
The canonical SMILES for N-(2-acetyl-5-tert-butylphenyl)propanamide is CCC(=O)Nc1cc(C(C)(C)C)ccc1C(C)=O.
What is the InChIKey of N-(2-acetyl-5-tert-butylphenyl)propanamide?
The InChIKey is XISAPBZGVIHRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-6-14(18)16-13-9-11(15(3,4)5)7-8-12(13)10(2)17/h7-9H,6H2,1-5H3,(H,16,18).
What are the key properties of N-(2-acetyl-5-tert-butylphenyl)propanamide?
N-(2-acetyl-5-tert-butylphenyl)propanamide has a molecular weight of 247.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-5-tert-butylphenyl)propanamide is sourced from PubChem (CID 605699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).