methyl 2-[[2-(2-ethylanilino)acetyl]amino]benzoate

C18H20N2O3 — CID 2437582

IUPACmethyl 2-[[2-(2-ethylanilino)acetyl]amino]benzoate
SMILESCCc1ccccc1NCC(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C18H20N2O3/c1-3-13-8-4-6-10-15(13)19-12-17(21)20-16-11-7-5-9-14(16)18(22)23-2/h4-11,19H,3,12H2,1-2H3,(H,20,21)
InChIKeyPFJIDPCLYPRILH-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.09
Rot. Bonds6

About methyl 2-[[2-(2-ethylanilino)acetyl]amino]benzoate

methyl 2-[[2-(2-ethylanilino)acetyl]amino]benzoate (PubChem CID 2437582) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 2-[[2-(2-ethylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-ethylanilino)acetyl]amino]benzoate
PubChem CID2437582
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl 2-[[2-(2-ethylanilino)acetyl]amino]benzoate
SMILESCCc1ccccc1NCC(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C18H20N2O3/c1-3-13-8-4-6-10-15(13)19-12-17(21)20-16-11-7-5-9-14(16)18(22)23-2/h4-11,19H,3,12H2,1-2H3,(H,20,21)
InChIKeyPFJIDPCLYPRILH-UHFFFAOYSA-N
XLogP3.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-ethylanilino)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-ethylanilino)acetyl]amino]benzoate (CID 2437582) is methyl 2-[[2-(2-ethylanilino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-ethylanilino)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-ethylanilino)acetyl]amino]benzoate is CCc1ccccc1NCC(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[2-(2-ethylanilino)acetyl]amino]benzoate?
The InChIKey is PFJIDPCLYPRILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-13-8-4-6-10-15(13)19-12-17(21)20-16-11-7-5-9-14(16)18(22)23-2/h4-11,19H,3,12H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-[[2-(2-ethylanilino)acetyl]amino]benzoate?
methyl 2-[[2-(2-ethylanilino)acetyl]amino]benzoate has a molecular weight of 312.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-ethylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 2437582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).