[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate

C20H22N2O5 — CID 9060989

IUPAC[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
SMILESCOc1ccc(NC(=O)[C@H](C)OC(=O)Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H22N2O5/c1-13(20(25)22-17-8-10-18(26-3)11-9-17)27-19(24)12-15-4-6-16(7-5-15)21-14(2)23/h4-11,13H,12H2,1-3H3,(H,21,23)(H,22,25)/t13-/m0/s1
InChIKeyNUIKRLBDBKGZKG-ZDUSSCGKSA-N
MW370.41 g/mol
LogP2.77
Rot. Bonds7

About [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate

[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate (PubChem CID 9060989) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
PubChem CID9060989
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
SMILESCOc1ccc(NC(=O)[C@H](C)OC(=O)Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H22N2O5/c1-13(20(25)22-17-8-10-18(26-3)11-9-17)27-19(24)12-15-4-6-16(7-5-15)21-14(2)23/h4-11,13H,12H2,1-3H3,(H,21,23)(H,22,25)/t13-/m0/s1
InChIKeyNUIKRLBDBKGZKG-ZDUSSCGKSA-N
XLogP2.77
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 40747138
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705021
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8671590
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759142
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8611022
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548776
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667089
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8609563
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705335
[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 8671911
[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9061126
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750151

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate (CID 9060989) is [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate is COc1ccc(NC(=O)[C@H](C)OC(=O)Cc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate?
The InChIKey is NUIKRLBDBKGZKG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13(20(25)22-17-8-10-18(26-3)11-9-17)27-19(24)12-15-4-6-16(7-5-15)21-14(2)23/h4-11,13H,12H2,1-3H3,(H,21,23)(H,22,25)/t13-/m0/s1.
What are the key properties of [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate?
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate has a molecular weight of 370.41 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 9060989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).