[2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate

C20H23NO6 — CID 7229792

IUPAC[2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
SMILESCC[C@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C20H23NO6/c1-4-17(27-14-8-6-5-7-9-14)20(23)26-13-19(22)21-16-11-10-15(24-2)12-18(16)25-3/h5-12,17H,4,13H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyNURWOUGTNQSSQC-KRWDZBQOSA-N
MW373.41 g/mol
LogP3.04
Rot. Bonds9

About [2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate

[2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate (PubChem CID 7229792) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
PubChem CID7229792
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
SMILESCC[C@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C20H23NO6/c1-4-17(27-14-8-6-5-7-9-14)20(23)26-13-19(22)21-16-11-10-15(24-2)12-18(16)25-3/h5-12,17H,4,13H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyNURWOUGTNQSSQC-KRWDZBQOSA-N
XLogP3.04
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233320
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233372
[2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233387
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233343
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 7838043
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791367
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7555743
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7555744
(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 94020229
(2R)-N-(2,4-dimethoxyphenyl)-2-(3-methylphenoxy)butanamide
CID 93487599
(2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
CID 9173271
N-(2,4-dimethoxyphenyl)-2-(4-ethylphenoxy)butanamide
CID 132652445

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate?
The IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate (CID 7229792) is [2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate.
What is the SMILES notation for [2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate?
The canonical SMILES for [2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate is CC[C@H](Oc1ccccc1)C(=O)OCC(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of [2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate?
The InChIKey is NURWOUGTNQSSQC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23NO6/c1-4-17(27-14-8-6-5-7-9-14)20(23)26-13-19(22)21-16-11-10-15(24-2)12-18(16)25-3/h5-12,17H,4,13H2,1-3H3,(H,21,22)/t17-/m0/s1.
What are the key properties of [2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate?
[2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate has a molecular weight of 373.41 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate is sourced from PubChem (CID 7229792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).