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

C20H23NO4 — CID 108802826

IUPACpropyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)CCOc2ccc(C)cc2)c1
InChIInChI=1S/C20H23NO4/c1-3-12-25-20(23)16-5-4-6-17(14-16)21-19(22)11-13-24-18-9-7-15(2)8-10-18/h4-10,14H,3,11-13H2,1-2H3,(H,21,22)
InChIKeyNTLLGHSYYPPDKL-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.97
Rot. Bonds8

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

propyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate (PubChem CID 108802826) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is propyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namepropyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate
PubChem CID108802826
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namepropyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)CCOc2ccc(C)cc2)c1
InChIInChI=1S/C20H23NO4/c1-3-12-25-20(23)16-5-4-6-17(14-16)21-19(22)11-13-24-18-9-7-15(2)8-10-18/h4-10,14H,3,11-13H2,1-2H3,(H,21,22)
InChIKeyNTLLGHSYYPPDKL-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

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Related Compounds

butyl 3-[4-(4-methylphenoxy)butanoylamino]benzoate
CID 19173477
propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802763
propyl 3-[3-(4-methylphenyl)propanoylamino]benzoate
CID 19220462
propyl 3-[4-(4-chloro-3-methylphenoxy)butanoylamino]benzoate
CID 19191236
propyl 3-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 2072273
propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167371
propyl 3-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]benzoate
CID 108808028
butyl 3-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 19237131
3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 31874270
propyl 3-(butoxycarbonylamino)benzoate
CID 19172785
propyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 19166186
methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate
CID 26240710

Frequently Asked Questions

What is the IUPAC name of propyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate?
The IUPAC name of propyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate (CID 108802826) is propyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate.
What is the SMILES notation for propyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate?
The canonical SMILES for propyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate is CCCOC(=O)c1cccc(NC(=O)CCOc2ccc(C)cc2)c1.
What is the InChIKey of propyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate?
The InChIKey is NTLLGHSYYPPDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-12-25-20(23)16-5-4-6-17(14-16)21-19(22)11-13-24-18-9-7-15(2)8-10-18/h4-10,14H,3,11-13H2,1-2H3,(H,21,22).
What are the key properties of propyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate?
propyl 3-[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 3-[3-(4-methylphenoxy)propanoylamino]benzoate is sourced from PubChem (CID 108802826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).