ethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate

C13H16N2O4 — CID 3142791

IUPACethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)N(NC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C13H16N2O4/c1-4-19-13(18)12(17)15(14-10(3)16)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyZSWJAGOVNLYBKL-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.94
Rot. Bonds2

About ethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate

ethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate (PubChem CID 3142791) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate
PubChem CID3142791
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Nameethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)N(NC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C13H16N2O4/c1-4-19-13(18)12(17)15(14-10(3)16)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyZSWJAGOVNLYBKL-UHFFFAOYSA-N
XLogP0.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-(4-methylphenyl)acetohydrazide
CID 125498843
ethyl 3-(N,4-dimethylanilino)-3-sulfanylidenepropanoate
CID 10777151
ethyl N-carbamoyl-N-(4-methylphenyl)carbamate
CID 3044299
2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene
CID 20503523
N,N,N',N'-tetrakis(4-methylphenyl)propanediamide
CID 165110005
ethyl 4-(4-methylphenyl)-2,4-dioxobutanoate
CID 595052
ethyl N-(4-methylphenyl)-N-trimethylsilylcarbamate
CID 71380165
ethyl (E)-3-acetamido-2-(4-methylphenyl)-3-phenylprop-2-enoate
CID 42638338
ethyl N-(3-bromo-2-oxopropyl)-N-(4-methylphenyl)carbamate
CID 104700951
ethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate
CID 8812591
ethyl acetate;4-methylaniline
CID 159639684
ethyl 2-hydroxyimino-3-(4-methylphenyl)propanoate
CID 142461557

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate?
The IUPAC name of ethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate (CID 3142791) is ethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate is CCOC(=O)C(=O)N(NC(C)=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate?
The InChIKey is ZSWJAGOVNLYBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-19-13(18)12(17)15(14-10(3)16)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H,14,16).
What are the key properties of ethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate?
ethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate has a molecular weight of 264.28 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate is sourced from PubChem (CID 3142791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).