ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate

C20H22N2O4 — CID 108500401

IUPACethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C20H22N2O4/c1-4-26-20(25)15-10-6-8-12-17(15)22-19(24)18(23)21-16-11-7-5-9-14(16)13(2)3/h5-13H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyKQPAAEKYLOIEAD-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.56
Rot. Bonds5

About ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate

ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate (PubChem CID 108500401) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
PubChem CID108500401
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nameethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C20H22N2O4/c1-4-26-20(25)15-10-6-8-12-17(15)22-19(24)18(23)21-16-11-7-5-9-14(16)13(2)3/h5-13H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyKQPAAEKYLOIEAD-UHFFFAOYSA-N
XLogP3.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-(2-butan-2-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108501945
ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 42069343
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
ethyl 2-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 93487292
ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 93487291
ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate
CID 79012215
ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501758
ethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
CID 109008126
ethyl 2-[(2-amino-4-methylpentanoyl)amino]benzoate
CID 61273586
methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 22301794
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-(2-amino-5-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108501953

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate (CID 108500401) is ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate?
The InChIKey is KQPAAEKYLOIEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-26-20(25)15-10-6-8-12-17(15)22-19(24)18(23)21-16-11-7-5-9-14(16)13(2)3/h5-13H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate?
ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 108500401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).