propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate

C20H23NO4 — CID 19167371

IUPACpropyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C)c1
InChIInChI=1S/C20H23NO4/c1-4-10-24-20(23)16-6-5-7-17(12-16)21-19(22)13-25-18-11-14(2)8-9-15(18)3/h5-9,11-12H,4,10,13H2,1-3H3,(H,21,22)
InChIKeyUCTHKUBYWGNTOD-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.89
Rot. Bonds7

About propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate

propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate (PubChem CID 19167371) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
PubChem CID19167371
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namepropyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C)c1
InChIInChI=1S/C20H23NO4/c1-4-10-24-20(23)16-6-5-7-17(12-16)21-19(22)13-25-18-11-14(2)8-9-15(18)3/h5-9,11-12H,4,10,13H2,1-3H3,(H,21,22)
InChIKeyUCTHKUBYWGNTOD-UHFFFAOYSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162321
N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188255
propyl 3-[[2-(2-bromo-4-chloro-3,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19201865
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218964
N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160
ethyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 17066452
2-ethoxyethyl 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]benzoate
CID 19166247
methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate
CID 26240710
2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167161
N-cyclopropyl-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 24581450
propyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802826

Frequently Asked Questions

What is the IUPAC name of propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate?
The IUPAC name of propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate (CID 19167371) is propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate is CCCOC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C)c1.
What is the InChIKey of propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate?
The InChIKey is UCTHKUBYWGNTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-10-24-20(23)16-6-5-7-17(12-16)21-19(22)13-25-18-11-14(2)8-9-15(18)3/h5-9,11-12H,4,10,13H2,1-3H3,(H,21,22).
What are the key properties of propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate?
propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 19167371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).