[4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium

C15H23N2O2+ — CID 58053073

IUPAC[4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium
SMILESCC(=O)Nc1ccc(C(=O)CCC[N+](C)(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-12(18)16-14-9-7-13(8-10-14)15(19)6-5-11-17(2,3)4/h7-10H,5-6,11H2,1-4H3/p+1
InChIKeyGIBFRYQREDFVAV-UHFFFAOYSA-O
MW263.36 g/mol
LogP2.31
Rot. Bonds6

About [4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium

[4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium (PubChem CID 58053073) has the molecular formula C15H23N2O2+ and a molecular weight of 263.36 g/mol. Its IUPAC name is [4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium.

Molecular Properties

Compound Name[4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium
PubChem CID58053073
Molecular FormulaC15H23N2O2+
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name[4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium
SMILESCC(=O)Nc1ccc(C(=O)CCC[N+](C)(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-12(18)16-14-9-7-13(8-10-14)15(19)6-5-11-17(2,3)4/h7-10H,5-6,11H2,1-4H3/p+1
InChIKeyGIBFRYQREDFVAV-UHFFFAOYSA-O
XLogP2.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-nonanoylphenyl)acetamide
CID 65449309
N-[4-(3-aminopropanoyl)phenyl]acetamide
CID 82341482
N-[4-[4-(diethylamino)butanoyl]phenyl]acetamide
CID 160663659
5-(4-acetamidophenyl)-5-oxopentanoic acid;5-(4-aminophenyl)-5-oxopentanoic acid
CID 158553917
N-[4-(3-cyanopropanoyl)phenyl]acetamide
CID 2807363
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
4-[2-(4-acetamidophenyl)acetyl]-N-[4-(2-oxopropyl)phenyl]benzamide
CID 160995920
N-[4-(3-cyclopentylpropanoyl)phenyl]acetamide
CID 43337935
N-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]phenyl]acetamide
CID 103206455
N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
CID 54601120
N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide
CID 110423647
4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298256

Frequently Asked Questions

What is the IUPAC name of [4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium?
The IUPAC name of [4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium (CID 58053073) is [4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium.
What is the SMILES notation for [4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium?
The canonical SMILES for [4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium is CC(=O)Nc1ccc(C(=O)CCC[N+](C)(C)C)cc1.
What is the InChIKey of [4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium?
The InChIKey is GIBFRYQREDFVAV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N2O2/c1-12(18)16-14-9-7-13(8-10-14)15(19)6-5-11-17(2,3)4/h7-10H,5-6,11H2,1-4H3/p+1.
What are the key properties of [4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium?
[4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium has a molecular weight of 263.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-acetamidophenyl)-4-oxobutyl]-trimethylazanium is sourced from PubChem (CID 58053073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).