ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate

C20H23NO4 — CID 92685092

IUPACethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1CC
InChIInChI=1S/C20H23NO4/c1-4-15-10-6-9-13-18(15)25-14(3)19(22)21-17-12-8-7-11-16(17)20(23)24-5-2/h6-14H,4-5H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyUUISLRZMXGIBCN-AWEZNQCLSA-N
MW341.41 g/mol
LogP3.83
Rot. Bonds7

About ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate

ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate (PubChem CID 92685092) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate
PubChem CID92685092
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1CC
InChIInChI=1S/C20H23NO4/c1-4-15-10-6-9-13-18(15)25-14(3)19(22)21-17-12-8-7-11-16(17)20(23)24-5-2/h6-14H,4-5H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyUUISLRZMXGIBCN-AWEZNQCLSA-N
XLogP3.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 93487292
ethyl 2-[[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 93487291
ethyl 2-[[(2S)-2-(2,4,5-trichlorophenoxy)propanoyl]amino]benzoate
CID 1019527
ethyl 2-[2-(3,5-dimethylphenoxy)propanoylamino]benzoate
CID 17034409
ethyl 3-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]-4-methylbenzoate
CID 92646434
N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide
CID 92683729
N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 92685232
ethyl 2-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]benzoate
CID 2969501
ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 724647
ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate
CID 79012215
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate (CID 92685092) is ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1CC.
What is the InChIKey of ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate?
The InChIKey is UUISLRZMXGIBCN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-15-10-6-9-13-18(15)25-14(3)19(22)21-17-12-8-7-11-16(17)20(23)24-5-2/h6-14H,4-5H2,1-3H3,(H,21,22)/t14-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate?
ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate is sourced from PubChem (CID 92685092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).