methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate

C19H21NO5 — CID 53267144

IUPACmethyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
SMILESCCOc1ccc(OC(C)C(=O)Nc2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C19H21NO5/c1-4-24-16-8-10-17(11-9-16)25-13(2)18(21)20-15-7-5-6-14(12-15)19(22)23-3/h5-13H,4H2,1-3H3,(H,20,21)
InChIKeyOAFFPHPSLMUAGM-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.28
Rot. Bonds7

About methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate

methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate (PubChem CID 53267144) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
PubChem CID53267144
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
SMILESCCOc1ccc(OC(C)C(=O)Nc2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C19H21NO5/c1-4-24-16-8-10-17(11-9-16)25-13(2)18(21)20-15-7-5-6-14(12-15)19(22)23-3/h5-13H,4H2,1-3H3,(H,20,21)
InChIKeyOAFFPHPSLMUAGM-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 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8639971
methyl 3-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]benzoate
CID 2676529
methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate
CID 17413178
[1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 6915084
methyl 3-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 26548599
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
CID 17414832
methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 1177997
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 46629707
butyl 3-(2-phenoxypropanoylamino)benzoate
CID 53265691
methyl 4-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965118
(2S)-N-(4-ethoxyphenyl)-2-(3-ethylphenoxy)propanamide
CID 25465522
methyl 4-[1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 78583530

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate?
The IUPAC name of methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate (CID 53267144) is methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate.
What is the SMILES notation for methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate?
The canonical SMILES for methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate is CCOc1ccc(OC(C)C(=O)Nc2cccc(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate?
The InChIKey is OAFFPHPSLMUAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-4-24-16-8-10-17(11-9-16)25-13(2)18(21)20-15-7-5-6-14(12-15)19(22)23-3/h5-13H,4H2,1-3H3,(H,20,21).
What are the key properties of methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate?
methyl 3-[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 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate is sourced from PubChem (CID 53267144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).