propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate

C21H25NO4 — CID 108807279

IUPACpropan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate
SMILESCCc1ccc(OCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C21H25NO4/c1-4-16-5-11-19(12-6-16)25-14-13-20(23)22-18-9-7-17(8-10-18)21(24)26-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyYBOAJJJAWRRAPA-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.22
Rot. Bonds8

About propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate

propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate (PubChem CID 108807279) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate
PubChem CID108807279
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Namepropan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate
SMILESCCc1ccc(OCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C21H25NO4/c1-4-16-5-11-19(12-6-16)25-14-13-20(23)22-18-9-7-17(8-10-18)21(24)26-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyYBOAJJJAWRRAPA-UHFFFAOYSA-N
XLogP4.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795729
butyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate
CID 19173521
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
CID 7965181
propan-2-yl 4-ethylbenzoate
CID 583760
propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate
CID 19220464
propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 718367
ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate
CID 974922
[4-[3-(4-ethylphenoxy)propanoylamino]phenyl] thiocyanate
CID 108795847
methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate
CID 108802931
propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802763
propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172386

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate?
The IUPAC name of propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate (CID 108807279) is propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate.
What is the SMILES notation for propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate?
The canonical SMILES for propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate is CCc1ccc(OCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate?
The InChIKey is YBOAJJJAWRRAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-16-5-11-19(12-6-16)25-14-13-20(23)22-18-9-7-17(8-10-18)21(24)26-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23).
What are the key properties of propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate?
propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate has a molecular weight of 355.43 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate is sourced from PubChem (CID 108807279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).