ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate

C20H23NO4 — CID 17034409

IUPACethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(C)Oc1cc(C)cc(C)c1
InChIInChI=1S/C20H23NO4/c1-5-24-20(23)17-8-6-7-9-18(17)21-19(22)15(4)25-16-11-13(2)10-14(3)12-16/h6-12,15H,5H2,1-4H3,(H,21,22)
InChIKeyJOHJARXVWDXHMX-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.89
Rot. Bonds6

About ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate

ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate (PubChem CID 17034409) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate
PubChem CID17034409
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(C)Oc1cc(C)cc(C)c1
InChIInChI=1S/C20H23NO4/c1-5-24-20(23)17-8-6-7-9-18(17)21-19(22)15(4)25-16-11-13(2)10-14(3)12-16/h6-12,15H,5H2,1-4H3,(H,21,22)
InChIKeyJOHJARXVWDXHMX-UHFFFAOYSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

methyl 2-[[(2S)-2-(3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 962200
ethyl 2-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]benzoate
CID 2969501
ethyl 2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzoate
CID 42083002
(2R)-2-(3,5-dimethylphenoxy)-N-(2-ethoxyphenyl)propanamide
CID 890147
ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate
CID 92685092
ethyl 2-[[(2S)-2-(2,4,5-trichlorophenoxy)propanoyl]amino]benzoate
CID 1019527
ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 93487291
ethyl 2-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 93487292
ethyl 2-[[(2S)-2-(3-methylphenoxy)butanoyl]amino]benzoate
CID 92676557
ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate
CID 79012215
methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267145
2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 99133293

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate?
The IUPAC name of ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate (CID 17034409) is ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate.
What is the SMILES notation for ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate?
The canonical SMILES for ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)C(C)Oc1cc(C)cc(C)c1.
What is the InChIKey of ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate?
The InChIKey is JOHJARXVWDXHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-5-24-20(23)17-8-6-7-9-18(17)21-19(22)15(4)25-16-11-13(2)10-14(3)12-16/h6-12,15H,5H2,1-4H3,(H,21,22).
What are the key properties of ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate?
ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate is sourced from PubChem (CID 17034409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).