(2-amino-2-oxoethyl) 4-phenylbenzoate

C15H13NO3 — CID 2097777

IUPAC(2-amino-2-oxoethyl) 4-phenylbenzoate
SMILESNC(=O)COC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H13NO3/c16-14(17)10-19-15(18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,17)
InChIKeyDXASGLZJAYFWAT-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.00
Rot. Bonds4

About (2-amino-2-oxoethyl) 4-phenylbenzoate

(2-amino-2-oxoethyl) 4-phenylbenzoate (PubChem CID 2097777) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-phenylbenzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-phenylbenzoate
PubChem CID2097777
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(2-amino-2-oxoethyl) 4-phenylbenzoate
SMILESNC(=O)COC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H13NO3/c16-14(17)10-19-15(18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,17)
InChIKeyDXASGLZJAYFWAT-UHFFFAOYSA-N
XLogP2.00
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-phenylbenzoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-phenylbenzoate (CID 2097777) is (2-amino-2-oxoethyl) 4-phenylbenzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-phenylbenzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-phenylbenzoate is NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-phenylbenzoate?
The InChIKey is DXASGLZJAYFWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c16-14(17)10-19-15(18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,17).
What are the key properties of (2-amino-2-oxoethyl) 4-phenylbenzoate?
(2-amino-2-oxoethyl) 4-phenylbenzoate has a molecular weight of 255.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-phenylbenzoate is sourced from PubChem (CID 2097777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).