methyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]benzoate

C18H18N2O5 — CID 2236601

IUPACmethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O5/c1-24-13-9-7-12(8-10-13)17(22)19-11-16(21)20-15-6-4-3-5-14(15)18(23)25-2/h3-10H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLXTWBPHUQHXJJJ-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.85
Rot. Bonds6

About methyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]benzoate

methyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]benzoate (PubChem CID 2236601) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]benzoate
PubChem CID2236601
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Namemethyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O5/c1-24-13-9-7-12(8-10-13)17(22)19-11-16(21)20-15-6-4-3-5-14(15)18(23)25-2/h3-10H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLXTWBPHUQHXJJJ-UHFFFAOYSA-N
XLogP1.85
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]benzoate (CID 2236601) is methyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]benzoate?
The InChIKey is LXTWBPHUQHXJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-24-13-9-7-12(8-10-13)17(22)19-11-16(21)20-15-6-4-3-5-14(15)18(23)25-2/h3-10H,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of methyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]benzoate?
methyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]benzoate has a molecular weight of 342.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 2236601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).