methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate

C19H21NO5 — CID 53267145

IUPACmethyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
SMILESCCOc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C19H21NO5/c1-4-24-14-9-11-15(12-10-14)25-13(2)18(21)20-17-8-6-5-7-16(17)19(22)23-3/h5-13H,4H2,1-3H3,(H,20,21)
InChIKeyXSPJEEKYNUAGEY-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.28
Rot. Bonds7

About methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate

methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate (PubChem CID 53267145) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
PubChem CID53267145
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
SMILESCCOc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C19H21NO5/c1-4-24-14-9-11-15(12-10-14)25-13(2)18(21)20-17-8-6-5-7-16(17)19(22)23-3/h5-13H,4H2,1-3H3,(H,20,21)
InChIKeyXSPJEEKYNUAGEY-UHFFFAOYSA-N
XLogP3.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
CID 719429
methyl 2-[[(2S)-2-(4-bromophenoxy)propanoyl]amino]benzoate
CID 29453906
methyl 2-[[(2S)-2-(3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 962200
N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxypropanamide
CID 18170387
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide
CID 53267271
methyl 2-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]benzoate
CID 1177887
methyl 2-(2-acetyloxypropanoylamino)benzoate
CID 23255845
methyl 2-[[(2S)-2-acetyloxypropanoyl]amino]benzoate
CID 129389746
ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate
CID 17034409
methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267144
methyl 4-[(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]oxybenzoate
CID 7679093

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate?
The IUPAC name of methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate (CID 53267145) is methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate.
What is the SMILES notation for methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate?
The canonical SMILES for methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate is CCOc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate?
The InChIKey is XSPJEEKYNUAGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-4-24-14-9-11-15(12-10-14)25-13(2)18(21)20-17-8-6-5-7-16(17)19(22)23-3/h5-13H,4H2,1-3H3,(H,20,21).
What are the key properties of methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate?
methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate has a molecular weight of 343.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate is sourced from PubChem (CID 53267145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).