[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate

C19H21NO5 — CID 7233320

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
SMILESCC[C@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccccc1OC
InChIInChI=1S/C19H21NO5/c1-3-16(25-14-9-5-4-6-10-14)19(22)24-13-18(21)20-15-11-7-8-12-17(15)23-2/h4-12,16H,3,13H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyIUGYLYDLCIGYEK-INIZCTEOSA-N
MW343.38 g/mol
LogP3.03
Rot. Bonds8

About [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate

[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate (PubChem CID 7233320) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
PubChem CID7233320
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
SMILESCC[C@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccccc1OC
InChIInChI=1S/C19H21NO5/c1-3-16(25-14-9-5-4-6-10-14)19(22)24-13-18(21)20-15-11-7-8-12-17(15)23-2/h4-12,16H,3,13H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyIUGYLYDLCIGYEK-INIZCTEOSA-N
XLogP3.03
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7229792
[2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233387
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7555744
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233372
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233343
[2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233309
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7555743
[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791422
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8985054
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
[2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7555759
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate (CID 7233320) is [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate is CC[C@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccccc1OC.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate?
The InChIKey is IUGYLYDLCIGYEK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21NO5/c1-3-16(25-14-9-5-4-6-10-14)19(22)24-13-18(21)20-15-11-7-8-12-17(15)23-2/h4-12,16H,3,13H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate?
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate has a molecular weight of 343.38 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate is sourced from PubChem (CID 7233320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).