propyl 4-[(2-methoxyacetyl)amino]benzoate

C13H17NO4 — CID 2165391

IUPACpropyl 4-[(2-methoxyacetyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)COC)cc1
InChIInChI=1S/C13H17NO4/c1-3-8-18-13(16)10-4-6-11(7-5-10)14-12(15)9-17-2/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyCBFFTYNXUFYNTH-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.84
Rot. Bonds6

About propyl 4-[(2-methoxyacetyl)amino]benzoate

propyl 4-[(2-methoxyacetyl)amino]benzoate (PubChem CID 2165391) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is propyl 4-[(2-methoxyacetyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(2-methoxyacetyl)amino]benzoate
PubChem CID2165391
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namepropyl 4-[(2-methoxyacetyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)COC)cc1
InChIInChI=1S/C13H17NO4/c1-3-8-18-13(16)10-4-6-11(7-5-10)14-12(15)9-17-2/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyCBFFTYNXUFYNTH-UHFFFAOYSA-N
XLogP1.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 4-[(2-methoxyacetyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(2-methoxyacetyl)amino]benzoate?
The IUPAC name of propyl 4-[(2-methoxyacetyl)amino]benzoate (CID 2165391) is propyl 4-[(2-methoxyacetyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(2-methoxyacetyl)amino]benzoate?
The canonical SMILES for propyl 4-[(2-methoxyacetyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)COC)cc1.
What is the InChIKey of propyl 4-[(2-methoxyacetyl)amino]benzoate?
The InChIKey is CBFFTYNXUFYNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-8-18-13(16)10-4-6-11(7-5-10)14-12(15)9-17-2/h4-7H,3,8-9H2,1-2H3,(H,14,15).
What are the key properties of propyl 4-[(2-methoxyacetyl)amino]benzoate?
propyl 4-[(2-methoxyacetyl)amino]benzoate has a molecular weight of 251.28 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(2-methoxyacetyl)amino]benzoate is sourced from PubChem (CID 2165391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).