[2-oxo-2-(propylamino)ethyl] benzoate

C12H15NO3 — CID 14033047

IUPAC[2-oxo-2-(propylamino)ethyl] benzoate
SMILESCCCNC(=O)COC(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-2-8-13-11(14)9-16-12(15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKeyOLCZSUFMDPGDIL-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.37
Rot. Bonds5

About [2-oxo-2-(propylamino)ethyl] benzoate

[2-oxo-2-(propylamino)ethyl] benzoate (PubChem CID 14033047) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] benzoate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] benzoate
PubChem CID14033047
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name[2-oxo-2-(propylamino)ethyl] benzoate
SMILESCCCNC(=O)COC(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-2-8-13-11(14)9-16-12(15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKeyOLCZSUFMDPGDIL-UHFFFAOYSA-N
XLogP1.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.37
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] benzoate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] benzoate (CID 14033047) is [2-oxo-2-(propylamino)ethyl] benzoate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] benzoate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] benzoate is CCCNC(=O)COC(=O)c1ccccc1.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] benzoate?
The InChIKey is OLCZSUFMDPGDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-8-13-11(14)9-16-12(15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14).
What are the key properties of [2-oxo-2-(propylamino)ethyl] benzoate?
[2-oxo-2-(propylamino)ethyl] benzoate has a molecular weight of 221.26 g/mol, XLogP of 1.37, 5 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] benzoate is sourced from PubChem (CID 14033047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).