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

C20H24N2O3 — CID 42069343

IUPACethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNc1ccccc1C(C)C
InChIInChI=1S/C20H24N2O3/c1-4-25-20(24)16-10-6-8-12-18(16)22-19(23)13-21-17-11-7-5-9-15(17)14(2)3/h5-12,14,21H,4,13H2,1-3H3,(H,22,23)
InChIKeyHKHBJXREGBKTQY-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.04
Rot. Bonds7

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

ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate (PubChem CID 42069343) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate
PubChem CID42069343
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nameethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNc1ccccc1C(C)C
InChIInChI=1S/C20H24N2O3/c1-4-25-20(24)16-10-6-8-12-18(16)22-19(23)13-21-17-11-7-5-9-15(17)14(2)3/h5-12,14,21H,4,13H2,1-3H3,(H,22,23)
InChIKeyHKHBJXREGBKTQY-UHFFFAOYSA-N
XLogP4.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
CID 109008126
ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 108500401
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009177
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
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-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate
CID 113001765
ethyl 2-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate
CID 108997359
ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate
CID 9099399

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate (CID 42069343) is ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CNc1ccccc1C(C)C.
What is the InChIKey of ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate?
The InChIKey is HKHBJXREGBKTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-25-20(24)16-10-6-8-12-18(16)22-19(23)13-21-17-11-7-5-9-15(17)14(2)3/h5-12,14,21H,4,13H2,1-3H3,(H,22,23).
What are the key properties of ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate?
ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate has a molecular weight of 340.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 42069343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).