[benzoyl(phenylmethoxy)amino] benzoate

C21H17NO4 — CID 3025962

IUPAC[benzoyl(phenylmethoxy)amino] benzoate
SMILESO=C(ON(OCc1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO4/c23-20(18-12-6-2-7-13-18)22(25-16-17-10-4-1-5-11-17)26-21(24)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyCWFVZMIGLFGLCL-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.03
Rot. Bonds5

About [benzoyl(phenylmethoxy)amino] benzoate

[benzoyl(phenylmethoxy)amino] benzoate (PubChem CID 3025962) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is [benzoyl(phenylmethoxy)amino] benzoate.

Molecular Properties

Compound Name[benzoyl(phenylmethoxy)amino] benzoate
PubChem CID3025962
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name[benzoyl(phenylmethoxy)amino] benzoate
SMILESO=C(ON(OCc1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO4/c23-20(18-12-6-2-7-13-18)22(25-16-17-10-4-1-5-11-17)26-21(24)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyCWFVZMIGLFGLCL-UHFFFAOYSA-N
XLogP4.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [benzoyl(phenylmethoxy)amino] benzoate?
The IUPAC name of [benzoyl(phenylmethoxy)amino] benzoate (CID 3025962) is [benzoyl(phenylmethoxy)amino] benzoate.
What is the SMILES notation for [benzoyl(phenylmethoxy)amino] benzoate?
The canonical SMILES for [benzoyl(phenylmethoxy)amino] benzoate is O=C(ON(OCc1ccccc1)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [benzoyl(phenylmethoxy)amino] benzoate?
The InChIKey is CWFVZMIGLFGLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c23-20(18-12-6-2-7-13-18)22(25-16-17-10-4-1-5-11-17)26-21(24)19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of [benzoyl(phenylmethoxy)amino] benzoate?
[benzoyl(phenylmethoxy)amino] benzoate has a molecular weight of 347.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzoyl(phenylmethoxy)amino] benzoate is sourced from PubChem (CID 3025962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).