[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate

C18H19NO5 — CID 7833680

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
SMILESCOc1cccc(NC(=O)COC(=O)[C@@H](C)Oc2ccccc2)c1
InChIInChI=1S/C18H19NO5/c1-13(24-15-8-4-3-5-9-15)18(21)23-12-17(20)19-14-7-6-10-16(11-14)22-2/h3-11,13H,12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyAUYNCFCUKVQSDI-CYBMUJFWSA-N
MW329.35 g/mol
LogP2.64
Rot. Bonds7

About [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate

[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate (PubChem CID 7833680) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
PubChem CID7833680
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
SMILESCOc1cccc(NC(=O)COC(=O)[C@@H](C)Oc2ccccc2)c1
InChIInChI=1S/C18H19NO5/c1-13(24-15-8-4-3-5-9-15)18(21)23-12-17(20)19-14-7-6-10-16(11-14)22-2/h3-11,13H,12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyAUYNCFCUKVQSDI-CYBMUJFWSA-N
XLogP2.64
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791367
dimethyl 5-[[2-(2-phenoxypropanoyloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 55315340
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate
CID 46509920
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 9348351
[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227947
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
CID 2582854
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate
CID 55366679
[2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867150
[2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 7833703
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833731
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833499
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 7833514

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate (CID 7833680) is [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate is COc1cccc(NC(=O)COC(=O)[C@@H](C)Oc2ccccc2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate?
The InChIKey is AUYNCFCUKVQSDI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19NO5/c1-13(24-15-8-4-3-5-9-15)18(21)23-12-17(20)19-14-7-6-10-16(11-14)22-2/h3-11,13H,12H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate?
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate has a molecular weight of 329.35 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate is sourced from PubChem (CID 7833680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).