[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate

C19H21NO6 — CID 8791367

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)[C@@H](C)Oc2ccccc2)c1
InChIInChI=1S/C19H21NO6/c1-13(26-14-7-5-4-6-8-14)19(22)25-12-18(21)20-16-11-15(23-2)9-10-17(16)24-3/h4-11,13H,12H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeySPSMLQGDIBAORT-CYBMUJFWSA-N
MW359.38 g/mol
LogP2.65
Rot. Bonds8

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate (PubChem CID 8791367) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
PubChem CID8791367
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)[C@@H](C)Oc2ccccc2)c1
InChIInChI=1S/C19H21NO6/c1-13(26-14-7-5-4-6-8-14)19(22)25-12-18(21)20-16-11-15(23-2)9-10-17(16)24-3/h4-11,13H,12H2,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeySPSMLQGDIBAORT-CYBMUJFWSA-N
XLogP2.65
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867861
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 4145246
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833680
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8985054
[2-(2,4-dimethoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7229792
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate
CID 55884813
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867717
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515970
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate
CID 2385789
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138
[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791422

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate (CID 8791367) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate is COc1ccc(OC)c(NC(=O)COC(=O)[C@@H](C)Oc2ccccc2)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate?
The InChIKey is SPSMLQGDIBAORT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21NO6/c1-13(26-14-7-5-4-6-8-14)19(22)25-12-18(21)20-16-11-15(23-2)9-10-17(16)24-3/h4-11,13H,12H2,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate has a molecular weight of 359.38 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate is sourced from PubChem (CID 8791367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).