ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate

C21H25NO4 — CID 92646434

IUPACethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate
SMILESCCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccccc2CC)c1
InChIInChI=1S/C21H25NO4/c1-5-16-9-7-8-10-19(16)26-15(4)20(23)22-18-13-17(12-11-14(18)3)21(24)25-6-2/h7-13,15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyYAIWFRNOLLFFRV-HNNXBMFYSA-N
MW355.43 g/mol
LogP4.14
Rot. Bonds7

About ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate

ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate (PubChem CID 92646434) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Nameethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate
PubChem CID92646434
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Nameethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate
SMILESCCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccccc2CC)c1
InChIInChI=1S/C21H25NO4/c1-5-16-9-7-8-10-19(16)26-15(4)20(23)22-18-13-17(12-11-14(18)3)21(24)25-6-2/h7-13,15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyYAIWFRNOLLFFRV-HNNXBMFYSA-N
XLogP4.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-4-methylbenzoate
CID 30397857
(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 94011869
ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate
CID 92685092
(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 99951167
ethyl 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-4-methylbenzoate
CID 132656492
ethyl 3-[2-(2-fluorophenoxy)butanoylamino]-4-methylbenzoate
CID 132654115
ethyl 3-chloro-4-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 99957135
ethyl 4-methyl-3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzoate
CID 100769371
N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
ethyl 3-[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8890418
ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate
CID 132653607
ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
CID 42082114

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate?
The IUPAC name of ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate (CID 92646434) is ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate.
What is the SMILES notation for ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate?
The canonical SMILES for ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate is CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccccc2CC)c1.
What is the InChIKey of ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate?
The InChIKey is YAIWFRNOLLFFRV-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-5-16-9-7-8-10-19(16)26-15(4)20(23)22-18-13-17(12-11-14(18)3)21(24)25-6-2/h7-13,15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1.
What are the key properties of ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate?
ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate has a molecular weight of 355.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate is sourced from PubChem (CID 92646434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).