[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate

C20H23NO5 — CID 8886117

IUPAC[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
SMILESCCOc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccccc2OC)cc1
InChIInChI=1S/C20H23NO5/c1-4-25-17-11-9-16(10-12-17)21-20(23)14(2)26-19(22)13-15-7-5-6-8-18(15)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyRQQFKLSOCOTVIJ-CQSZACIVSA-N
MW357.41 g/mol
LogP3.21
Rot. Bonds8

About [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate

[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate (PubChem CID 8886117) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
PubChem CID8886117
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
SMILESCCOc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccccc2OC)cc1
InChIInChI=1S/C20H23NO5/c1-4-25-17-11-9-16(10-12-17)21-20(23)14(2)26-19(22)13-15-7-5-6-8-18(15)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyRQQFKLSOCOTVIJ-CQSZACIVSA-N
XLogP3.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616935
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 40661947
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384492
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384493
[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886294
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7273832
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 16543759
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384515
[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(2-methoxyphenyl)acetate
CID 25161608
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854094
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 46622593
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886418

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate?
The IUPAC name of [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate (CID 8886117) is [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate.
What is the SMILES notation for [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate?
The canonical SMILES for [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate is CCOc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccccc2OC)cc1.
What is the InChIKey of [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate?
The InChIKey is RQQFKLSOCOTVIJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23NO5/c1-4-25-17-11-9-16(10-12-17)21-20(23)14(2)26-19(22)13-15-7-5-6-8-18(15)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate?
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate has a molecular weight of 357.41 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 8886117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).