[2-[2-(N-phenylanilino)acetyl]oxyphenyl] 2-(N-phenylanilino)acetate

C34H28N2O4 — CID 23770808

IUPAC[2-[2-(N-phenylanilino)acetyl]oxyphenyl] 2-(N-phenylanilino)acetate
SMILESO=C(CN(c1ccccc1)c1ccccc1)Oc1ccccc1OC(=O)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H28N2O4/c37-33(25-35(27-15-5-1-6-16-27)28-17-7-2-8-18-28)39-31-23-13-14-24-32(31)40-34(38)26-36(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-24H,25-26H2
InChIKeyQCKVTSYCWPGTFZ-UHFFFAOYSA-N
MW528.61 g/mol
LogP7.17
Rot. Bonds10

About [2-[2-(N-phenylanilino)acetyl]oxyphenyl] 2-(N-phenylanilino)acetate

[2-[2-(N-phenylanilino)acetyl]oxyphenyl] 2-(N-phenylanilino)acetate (PubChem CID 23770808) has the molecular formula C34H28N2O4 and a molecular weight of 528.61 g/mol. Its IUPAC name is [2-[2-(N-phenylanilino)acetyl]oxyphenyl] 2-(N-phenylanilino)acetate.

Molecular Properties

Compound Name[2-[2-(N-phenylanilino)acetyl]oxyphenyl] 2-(N-phenylanilino)acetate
PubChem CID23770808
Molecular FormulaC34H28N2O4
Molecular Weight528.61 g/mol
Exact Mass528.20
IUPAC Name[2-[2-(N-phenylanilino)acetyl]oxyphenyl] 2-(N-phenylanilino)acetate
SMILESO=C(CN(c1ccccc1)c1ccccc1)Oc1ccccc1OC(=O)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H28N2O4/c37-33(25-35(27-15-5-1-6-16-27)28-17-7-2-8-18-28)39-31-23-13-14-24-32(31)40-34(38)26-36(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-24H,25-26H2
InChIKeyQCKVTSYCWPGTFZ-UHFFFAOYSA-N
XLogP7.17
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(N-phenylanilino)acetyl]oxyphenyl] 2-(N-phenylanilino)acetate?
The IUPAC name of [2-[2-(N-phenylanilino)acetyl]oxyphenyl] 2-(N-phenylanilino)acetate (CID 23770808) is [2-[2-(N-phenylanilino)acetyl]oxyphenyl] 2-(N-phenylanilino)acetate.
What is the SMILES notation for [2-[2-(N-phenylanilino)acetyl]oxyphenyl] 2-(N-phenylanilino)acetate?
The canonical SMILES for [2-[2-(N-phenylanilino)acetyl]oxyphenyl] 2-(N-phenylanilino)acetate is O=C(CN(c1ccccc1)c1ccccc1)Oc1ccccc1OC(=O)CN(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[2-(N-phenylanilino)acetyl]oxyphenyl] 2-(N-phenylanilino)acetate?
The InChIKey is QCKVTSYCWPGTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O4/c37-33(25-35(27-15-5-1-6-16-27)28-17-7-2-8-18-28)39-31-23-13-14-24-32(31)40-34(38)26-36(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-24H,25-26H2.
What are the key properties of [2-[2-(N-phenylanilino)acetyl]oxyphenyl] 2-(N-phenylanilino)acetate?
[2-[2-(N-phenylanilino)acetyl]oxyphenyl] 2-(N-phenylanilino)acetate has a molecular weight of 528.61 g/mol, XLogP of 7.17, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(N-phenylanilino)acetyl]oxyphenyl] 2-(N-phenylanilino)acetate is sourced from PubChem (CID 23770808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).