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

C20H23NO3 — CID 19220462

IUPACpropyl 3-[3-(4-methylphenyl)propanoylamino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)CCc2ccc(C)cc2)c1
InChIInChI=1S/C20H23NO3/c1-3-13-24-20(23)17-5-4-6-18(14-17)21-19(22)12-11-16-9-7-15(2)8-10-16/h4-10,14H,3,11-13H2,1-2H3,(H,21,22)
InChIKeyKBSZLYKHCKMJRA-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.13
Rot. Bonds7

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

propyl 3-[3-(4-methylphenyl)propanoylamino]benzoate (PubChem CID 19220462) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is propyl 3-[3-(4-methylphenyl)propanoylamino]benzoate.

Molecular Properties

Compound Namepropyl 3-[3-(4-methylphenyl)propanoylamino]benzoate
PubChem CID19220462
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namepropyl 3-[3-(4-methylphenyl)propanoylamino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)CCc2ccc(C)cc2)c1
InChIInChI=1S/C20H23NO3/c1-3-13-24-20(23)17-5-4-6-18(14-17)21-19(22)12-11-16-9-7-15(2)8-10-16/h4-10,14H,3,11-13H2,1-2H3,(H,21,22)
InChIKeyKBSZLYKHCKMJRA-UHFFFAOYSA-N
XLogP4.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802826
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
butyl 3-[4-(4-methylphenoxy)butanoylamino]benzoate
CID 19173477
butyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]benzoate
CID 19220656
propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167371
propyl 3-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]benzoate
CID 108808028
propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 19220847
propyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 19166186
N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
CID 18121849
butyl 3-(3-phenylpropanoylcarbamothioylamino)benzoate
CID 19187871
N-[3-(chloromethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114293248
N-[3-(bromomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114307276

Frequently Asked Questions

What is the IUPAC name of propyl 3-[3-(4-methylphenyl)propanoylamino]benzoate?
The IUPAC name of propyl 3-[3-(4-methylphenyl)propanoylamino]benzoate (CID 19220462) is propyl 3-[3-(4-methylphenyl)propanoylamino]benzoate.
What is the SMILES notation for propyl 3-[3-(4-methylphenyl)propanoylamino]benzoate?
The canonical SMILES for propyl 3-[3-(4-methylphenyl)propanoylamino]benzoate is CCCOC(=O)c1cccc(NC(=O)CCc2ccc(C)cc2)c1.
What is the InChIKey of propyl 3-[3-(4-methylphenyl)propanoylamino]benzoate?
The InChIKey is KBSZLYKHCKMJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-13-24-20(23)17-5-4-6-18(14-17)21-19(22)12-11-16-9-7-15(2)8-10-16/h4-10,14H,3,11-13H2,1-2H3,(H,21,22).
What are the key properties of propyl 3-[3-(4-methylphenyl)propanoylamino]benzoate?
propyl 3-[3-(4-methylphenyl)propanoylamino]benzoate has a molecular weight of 325.41 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[3-(4-methylphenyl)propanoylamino]benzoate is sourced from PubChem (CID 19220462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).