(2-amino-2-oxoethyl) 4-phenoxybenzoate

C15H13NO4 — CID 2098554

IUPAC(2-amino-2-oxoethyl) 4-phenoxybenzoate
SMILESNC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H13NO4/c16-14(17)10-19-15(18)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,17)
InChIKeyHJHZJHZNMAINBH-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.12
Rot. Bonds5

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

(2-amino-2-oxoethyl) 4-phenoxybenzoate (PubChem CID 2098554) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-phenoxybenzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-phenoxybenzoate
PubChem CID2098554
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(2-amino-2-oxoethyl) 4-phenoxybenzoate
SMILESNC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H13NO4/c16-14(17)10-19-15(18)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,17)
InChIKeyHJHZJHZNMAINBH-UHFFFAOYSA-N
XLogP2.12
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-phenoxybenzoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-phenoxybenzoate (CID 2098554) is (2-amino-2-oxoethyl) 4-phenoxybenzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-phenoxybenzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-phenoxybenzoate is NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-phenoxybenzoate?
The InChIKey is HJHZJHZNMAINBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c16-14(17)10-19-15(18)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,17).
What are the key properties of (2-amino-2-oxoethyl) 4-phenoxybenzoate?
(2-amino-2-oxoethyl) 4-phenoxybenzoate has a molecular weight of 271.27 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-phenoxybenzoate is sourced from PubChem (CID 2098554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).