4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid

C14H17NO4 — CID 65298256

IUPAC4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(=O)Nc1ccc(C(=O)CC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H17NO4/c1-9(16)15-11-6-4-10(5-7-11)12(17)8-14(2,3)13(18)19/h4-7H,8H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyYUVUENBICQOMDU-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.33
Rot. Bonds5

About 4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid

4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65298256) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65298256
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(=O)Nc1ccc(C(=O)CC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H17NO4/c1-9(16)15-11-6-4-10(5-7-11)12(17)8-14(2,3)13(18)19/h4-7H,8H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyYUVUENBICQOMDU-UHFFFAOYSA-N
XLogP2.33
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetamidoanilino)-2,2-dimethylpropanoic acid
CID 79629806
4-(4-hydroxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 19884804
2,2-dimethyl-4-oxo-4-[4-[4-(3-phenylpropanoylamino)phenyl]phenyl]butanoic acid
CID 143314249
4-(4-ethylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727213
4-[(4-acetamidophenyl)methylamino]benzoic acid
CID 43139218
4-(4-acetamidoanilino)benzoic acid
CID 11425691
4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid
CID 70987635
N-[4-(3-aminopropanoyl)phenyl]acetamide
CID 82341482
3-[(4-acetamidobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174171
N-[4-(3,5,5-trimethylhexanoyl)phenyl]acetamide
CID 43160152
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
4-[[2,2-dimethyl-4-(4-nitrophenyl)-4-oxobutanoyl]amino]benzoic acid
CID 162201246

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid (CID 65298256) is 4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid is CC(=O)Nc1ccc(C(=O)CC(C)(C)C(=O)O)cc1.
What is the InChIKey of 4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is YUVUENBICQOMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(16)15-11-6-4-10(5-7-11)12(17)8-14(2,3)13(18)19/h4-7H,8H2,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid?
4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 263.29 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65298256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).