ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]benzoate

C18H19NO4 — CID 727428

IUPACethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cc1ccccc1OC
InChIInChI=1S/C18H19NO4/c1-3-23-18(21)14-9-5-6-10-15(14)19-17(20)12-13-8-4-7-11-16(13)22-2/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyIJFAMOBCCADAGP-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.05
Rot. Bonds6

About ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]benzoate

ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]benzoate (PubChem CID 727428) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]benzoate
PubChem CID727428
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cc1ccccc1OC
InChIInChI=1S/C18H19NO4/c1-3-23-18(21)14-9-5-6-10-15(14)19-17(20)12-13-8-4-7-11-16(13)22-2/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyIJFAMOBCCADAGP-UHFFFAOYSA-N
XLogP3.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]benzoate (CID 727428) is ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)Cc1ccccc1OC.
What is the InChIKey of ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]benzoate?
The InChIKey is IJFAMOBCCADAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-23-18(21)14-9-5-6-10-15(14)19-17(20)12-13-8-4-7-11-16(13)22-2/h4-11H,3,12H2,1-2H3,(H,19,20).
What are the key properties of ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]benzoate?
ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]benzoate has a molecular weight of 313.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-methoxyphenyl)acetyl]amino]benzoate is sourced from PubChem (CID 727428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).