ethyl 2-(4-phenylanilino)acetate

C16H17NO2 — CID 13211812

IUPACethyl 2-(4-phenylanilino)acetate
SMILESCCOC(=O)CNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-2-19-16(18)12-17-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3
InChIKeyVIPGYAHKYJXPKG-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.33
Rot. Bonds5

About ethyl 2-(4-phenylanilino)acetate

ethyl 2-(4-phenylanilino)acetate (PubChem CID 13211812) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is ethyl 2-(4-phenylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-phenylanilino)acetate
PubChem CID13211812
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Nameethyl 2-(4-phenylanilino)acetate
SMILESCCOC(=O)CNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-2-19-16(18)12-17-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3
InChIKeyVIPGYAHKYJXPKG-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-phenylanilino)acetate?
The IUPAC name of ethyl 2-(4-phenylanilino)acetate (CID 13211812) is ethyl 2-(4-phenylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-phenylanilino)acetate?
The canonical SMILES for ethyl 2-(4-phenylanilino)acetate is CCOC(=O)CNc1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 2-(4-phenylanilino)acetate?
The InChIKey is VIPGYAHKYJXPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-19-16(18)12-17-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3.
What are the key properties of ethyl 2-(4-phenylanilino)acetate?
ethyl 2-(4-phenylanilino)acetate has a molecular weight of 255.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-phenylanilino)acetate is sourced from PubChem (CID 13211812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).