[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate

C22H25NO5 — CID 8534348

IUPAC[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
SMILESCCc1ccc(NC(=O)[C@H](C)OC(=O)Cc2cc(C(C)=O)ccc2OC)cc1
InChIInChI=1S/C22H25NO5/c1-5-16-6-9-19(10-7-16)23-22(26)15(3)28-21(25)13-18-12-17(14(2)24)8-11-20(18)27-4/h6-12,15H,5,13H2,1-4H3,(H,23,26)/t15-/m0/s1
InChIKeyVZTZDIYKXDTNDL-HNNXBMFYSA-N
MW383.44 g/mol
LogP3.57
Rot. Bonds8

About [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate

[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate (PubChem CID 8534348) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
PubChem CID8534348
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
SMILESCCc1ccc(NC(=O)[C@H](C)OC(=O)Cc2cc(C(C)=O)ccc2OC)cc1
InChIInChI=1S/C22H25NO5/c1-5-16-6-9-19(10-7-16)23-22(26)15(3)28-21(25)13-18-12-17(14(2)24)8-11-20(18)27-4/h6-12,15H,5,13H2,1-4H3,(H,23,26)/t15-/m0/s1
InChIKeyVZTZDIYKXDTNDL-HNNXBMFYSA-N
XLogP3.57
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7765594
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766423
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7416046
[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate
CID 9310675
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667089
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534958
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8609563
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667288
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 2500963
[(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
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776245

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate?
The IUPAC name of [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate (CID 8534348) is [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate.
What is the SMILES notation for [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate?
The canonical SMILES for [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate is CCc1ccc(NC(=O)[C@H](C)OC(=O)Cc2cc(C(C)=O)ccc2OC)cc1.
What is the InChIKey of [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate?
The InChIKey is VZTZDIYKXDTNDL-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-5-16-6-9-19(10-7-16)23-22(26)15(3)28-21(25)13-18-12-17(14(2)24)8-11-20(18)27-4/h6-12,15H,5,13H2,1-4H3,(H,23,26)/t15-/m0/s1.
What are the key properties of [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate?
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate has a molecular weight of 383.44 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate is sourced from PubChem (CID 8534348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).