propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate

C20H23NO4 — CID 108802763

IUPACpropyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CCOc2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-13-25-20(23)16-6-8-17(9-7-16)21-19(22)12-14-24-18-10-4-15(2)5-11-18/h4-11H,3,12-14H2,1-2H3,(H,21,22)
InChIKeyJCJRLOMDKWNWKQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.97
Rot. Bonds8

About propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate

propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate (PubChem CID 108802763) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namepropyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate
PubChem CID108802763
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namepropyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CCOc2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-13-25-20(23)16-6-8-17(9-7-16)21-19(22)12-14-24-18-10-4-15(2)5-11-18/h4-11H,3,12-14H2,1-2H3,(H,21,22)
InChIKeyJCJRLOMDKWNWKQ-UHFFFAOYSA-N
XLogP3.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

propyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802826
ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate
CID 974922
propyl 4-[[2-(4-butoxyanilino)acetyl]amino]benzoate
CID 54820220
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
propyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173583
propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54813023
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
propyl 4-[[2-(4-hexoxyanilino)acetyl]amino]benzoate
CID 54820609
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]azanium
CID 8588118
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7926976

Frequently Asked Questions

What is the IUPAC name of propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate?
The IUPAC name of propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate (CID 108802763) is propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate.
What is the SMILES notation for propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate?
The canonical SMILES for propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate is CCCOC(=O)c1ccc(NC(=O)CCOc2ccc(C)cc2)cc1.
What is the InChIKey of propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate?
The InChIKey is JCJRLOMDKWNWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-13-25-20(23)16-6-8-17(9-7-16)21-19(22)12-14-24-18-10-4-15(2)5-11-18/h4-11H,3,12-14H2,1-2H3,(H,21,22).
What are the key properties of propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate?
propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate is sourced from PubChem (CID 108802763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).