[benzoyl(phenylmethoxy)amino] 4-methylbenzoate

C22H19NO4 — CID 3025964

IUPAC[benzoyl(phenylmethoxy)amino] 4-methylbenzoate
SMILESCc1ccc(C(=O)ON(OCc2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19NO4/c1-17-12-14-20(15-13-17)22(25)27-23(21(24)19-10-6-3-7-11-19)26-16-18-8-4-2-5-9-18/h2-15H,16H2,1H3
InChIKeyFZHCGURHJSRFNE-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.34
Rot. Bonds5

About [benzoyl(phenylmethoxy)amino] 4-methylbenzoate

[benzoyl(phenylmethoxy)amino] 4-methylbenzoate (PubChem CID 3025964) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is [benzoyl(phenylmethoxy)amino] 4-methylbenzoate.

Molecular Properties

Compound Name[benzoyl(phenylmethoxy)amino] 4-methylbenzoate
PubChem CID3025964
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name[benzoyl(phenylmethoxy)amino] 4-methylbenzoate
SMILESCc1ccc(C(=O)ON(OCc2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19NO4/c1-17-12-14-20(15-13-17)22(25)27-23(21(24)19-10-6-3-7-11-19)26-16-18-8-4-2-5-9-18/h2-15H,16H2,1H3
InChIKeyFZHCGURHJSRFNE-UHFFFAOYSA-N
XLogP4.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.34
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] 4-methylbenzoate?
The IUPAC name of [benzoyl(phenylmethoxy)amino] 4-methylbenzoate (CID 3025964) is [benzoyl(phenylmethoxy)amino] 4-methylbenzoate.
What is the SMILES notation for [benzoyl(phenylmethoxy)amino] 4-methylbenzoate?
The canonical SMILES for [benzoyl(phenylmethoxy)amino] 4-methylbenzoate is Cc1ccc(C(=O)ON(OCc2ccccc2)C(=O)c2ccccc2)cc1.
What is the InChIKey of [benzoyl(phenylmethoxy)amino] 4-methylbenzoate?
The InChIKey is FZHCGURHJSRFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-17-12-14-20(15-13-17)22(25)27-23(21(24)19-10-6-3-7-11-19)26-16-18-8-4-2-5-9-18/h2-15H,16H2,1H3.
What are the key properties of [benzoyl(phenylmethoxy)amino] 4-methylbenzoate?
[benzoyl(phenylmethoxy)amino] 4-methylbenzoate has a molecular weight of 361.40 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzoyl(phenylmethoxy)amino] 4-methylbenzoate is sourced from PubChem (CID 3025964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).