[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate

C26H22N2O5 — CID 16587290

IUPAC[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate
SMILESCC(=O)c1ccc(NC(=O)C(C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C26H22N2O5/c1-16(29)18-11-13-19(14-12-18)27-26(32)17(2)33-24(30)15-28-22-9-5-3-7-20(22)25(31)21-8-4-6-10-23(21)28/h3-14,17H,15H2,1-2H3,(H,27,32)
InChIKeyNQHOSUJBQUOOBY-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.93
Rot. Bonds6

About [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate

[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16587290) has the molecular formula C26H22N2O5 and a molecular weight of 442.47 g/mol. Its IUPAC name is [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID16587290
Molecular FormulaC26H22N2O5
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC Name[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate
SMILESCC(=O)c1ccc(NC(=O)C(C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C26H22N2O5/c1-16(29)18-11-13-19(14-12-18)27-26(32)17(2)33-24(30)15-28-22-9-5-3-7-20(22)25(31)21-8-4-6-10-23(21)28/h3-14,17H,15H2,1-2H3,(H,27,32)
InChIKeyNQHOSUJBQUOOBY-UHFFFAOYSA-N
XLogP3.93
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400292
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate
CID 51479653
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 8015315
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7939819
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7185654
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate
CID 7805323
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate
CID 7909270
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821160
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926243
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8526697
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773087
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9274527

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate (CID 16587290) is [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate is CC(=O)c1ccc(NC(=O)C(C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1.
What is the InChIKey of [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is NQHOSUJBQUOOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O5/c1-16(29)18-11-13-19(14-12-18)27-26(32)17(2)33-24(30)15-28-22-9-5-3-7-20(22)25(31)21-8-4-6-10-23(21)28/h3-14,17H,15H2,1-2H3,(H,27,32).
What are the key properties of [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate?
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 442.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16587290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).