[2-(benzylamino)-2-oxo-1-phenylethyl] acetate

C17H17NO3 — CID 5158023

IUPAC[2-(benzylamino)-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-13(19)21-16(15-10-6-3-7-11-15)17(20)18-12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H,18,20)
InChIKeyHZUAABDZTNOQFU-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.61
Rot. Bonds5

About [2-(benzylamino)-2-oxo-1-phenylethyl] acetate

[2-(benzylamino)-2-oxo-1-phenylethyl] acetate (PubChem CID 5158023) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxo-1-phenylethyl] acetate
PubChem CID5158023
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[2-(benzylamino)-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-13(19)21-16(15-10-6-3-7-11-15)17(20)18-12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H,18,20)
InChIKeyHZUAABDZTNOQFU-UHFFFAOYSA-N
XLogP2.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-(benzylamino)-2-oxo-1-phenylethyl] acetate (CID 5158023) is [2-(benzylamino)-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-(benzylamino)-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-(benzylamino)-2-oxo-1-phenylethyl] acetate is CC(=O)OC(C(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxo-1-phenylethyl] acetate?
The InChIKey is HZUAABDZTNOQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13(19)21-16(15-10-6-3-7-11-15)17(20)18-12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H,18,20).
What are the key properties of [2-(benzylamino)-2-oxo-1-phenylethyl] acetate?
[2-(benzylamino)-2-oxo-1-phenylethyl] acetate has a molecular weight of 283.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 5158023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).