[2-oxo-2-(propylamino)ethyl] 4-phenylbenzoate

C18H19NO3 — CID 2097080

IUPAC[2-oxo-2-(propylamino)ethyl] 4-phenylbenzoate
SMILESCCCNC(=O)COC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-2-12-19-17(20)13-22-18(21)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,20)
InChIKeyFFGDOUYQNVCFMG-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.04
Rot. Bonds6

About [2-oxo-2-(propylamino)ethyl] 4-phenylbenzoate

[2-oxo-2-(propylamino)ethyl] 4-phenylbenzoate (PubChem CID 2097080) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 4-phenylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 4-phenylbenzoate
PubChem CID2097080
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[2-oxo-2-(propylamino)ethyl] 4-phenylbenzoate
SMILESCCCNC(=O)COC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-2-12-19-17(20)13-22-18(21)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,20)
InChIKeyFFGDOUYQNVCFMG-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 4-phenylbenzoate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 4-phenylbenzoate (CID 2097080) is [2-oxo-2-(propylamino)ethyl] 4-phenylbenzoate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 4-phenylbenzoate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 4-phenylbenzoate is CCCNC(=O)COC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 4-phenylbenzoate?
The InChIKey is FFGDOUYQNVCFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-12-19-17(20)13-22-18(21)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,20).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 4-phenylbenzoate?
[2-oxo-2-(propylamino)ethyl] 4-phenylbenzoate has a molecular weight of 297.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 4-phenylbenzoate is sourced from PubChem (CID 2097080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).