propyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate

C20H23NO3 — CID 19166186

IUPACpropyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C20H23NO3/c1-5-9-24-20(23)16-7-6-8-17(12-16)21-19(22)18-14(3)10-13(2)11-15(18)4/h6-8,10-12H,5,9H2,1-4H3,(H,21,22)
InChIKeyAZMCMTXEFDFGOC-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.43
Rot. Bonds5

About propyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate

propyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate (PubChem CID 19166186) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is propyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate
PubChem CID19166186
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namepropyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C20H23NO3/c1-5-9-24-20(23)16-7-6-8-17(12-16)21-19(22)18-14(3)10-13(2)11-15(18)4/h6-8,10-12H,5,9H2,1-4H3,(H,21,22)
InChIKeyAZMCMTXEFDFGOC-UHFFFAOYSA-N
XLogP4.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 3-[[4-(2-oxo-2-phenylacetyl)benzoyl]amino]benzoate
CID 2787450
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
propyl 3-(butoxycarbonylamino)benzoate
CID 19172785
propyl 3-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19171675
propyl 3-(methylcarbamothioylamino)benzoate
CID 2185770
propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167371
propyl 3-[3-(4-methylphenyl)propanoylamino]benzoate
CID 19220462
propyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802826
4-oxo-4-(3-propoxycarbonylanilino)but-2-enoic acid
CID 2787757
propyl 3-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]benzoate
CID 108808028
butyl 3-(pyridine-4-carbonylamino)benzoate
CID 19171649
ethyl 3-acetamidobenzoate
CID 700589

Frequently Asked Questions

What is the IUPAC name of propyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate?
The IUPAC name of propyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate (CID 19166186) is propyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate.
What is the SMILES notation for propyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate?
The canonical SMILES for propyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate is CCCOC(=O)c1cccc(NC(=O)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of propyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate?
The InChIKey is AZMCMTXEFDFGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-5-9-24-20(23)16-7-6-8-17(12-16)21-19(22)18-14(3)10-13(2)11-15(18)4/h6-8,10-12H,5,9H2,1-4H3,(H,21,22).
What are the key properties of propyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate?
propyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate has a molecular weight of 325.41 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[(2,4,6-trimethylbenzoyl)amino]benzoate is sourced from PubChem (CID 19166186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).