2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid

C14H16N2O5 — CID 71434928

IUPAC2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid
SMILESCC(=O)Nc1ccccc1C(=O)CC(NC(C)=O)C(=O)O
InChIInChI=1S/C14H16N2O5/c1-8(17)15-11-6-4-3-5-10(11)13(19)7-12(14(20)21)16-9(2)18/h3-6,12H,7H2,1-2H3,(H,15,17)(H,16,18)(H,20,21)
InChIKeyICDIWXSXHWPWBS-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.81
Rot. Bonds6

About 2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid

2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid (PubChem CID 71434928) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid
PubChem CID71434928
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid
SMILESCC(=O)Nc1ccccc1C(=O)CC(NC(C)=O)C(=O)O
InChIInChI=1S/C14H16N2O5/c1-8(17)15-11-6-4-3-5-10(11)13(19)7-12(14(20)21)16-9(2)18/h3-6,12H,7H2,1-2H3,(H,15,17)(H,16,18)(H,20,21)
InChIKeyICDIWXSXHWPWBS-UHFFFAOYSA-N
XLogP0.81
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-4-(2-aminophenyl)-4-oxobutanoic acid;(3R)-3-amino-1-(2-aminophenyl)butan-1-one;ethane;vanadium;hydroiodide
CID 160574202
2-benzamido-4-(2-formamidophenyl)-4-oxobutanoic acid
CID 87486683
CID 170843062
CID 170843062
(2S)-2-acetamido-4-(2-amino-5-methylsulfanylphenyl)-4-oxobutanoic acid
CID 167431417
4-(2-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 103819661
(2S)-4-(2-aminophenyl)-2-(oxaloamino)-4-oxobutanoic acid
CID 54352244
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
4-(2-aminophenyl)-2-(methylamino)-4-oxobutanoic acid
CID 130357697
2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid
CID 22603328
(2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide
CID 59293509
2-acetamidobenzoyl chloride
CID 12520814
2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid
CID 54080278

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid?
The IUPAC name of 2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid (CID 71434928) is 2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid.
What is the SMILES notation for 2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid?
The canonical SMILES for 2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid is CC(=O)Nc1ccccc1C(=O)CC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid?
The InChIKey is ICDIWXSXHWPWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-8(17)15-11-6-4-3-5-10(11)13(19)7-12(14(20)21)16-9(2)18/h3-6,12H,7H2,1-2H3,(H,15,17)(H,16,18)(H,20,21).
What are the key properties of 2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid?
2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid has a molecular weight of 292.29 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid is sourced from PubChem (CID 71434928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).