[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate

C29H22N2O5 — CID 16587266

IUPAC[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C29H22N2O5/c32-27(30-20-14-16-22(17-15-20)36-21-8-2-1-3-9-21)19-35-28(33)18-31-25-12-6-4-10-23(25)29(34)24-11-5-7-13-26(24)31/h1-17H,18-19H2,(H,30,32)
InChIKeyCECFUEUSWMJBQM-UHFFFAOYSA-N
MW478.50 g/mol
LogP5.13
Rot. Bonds7

About [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate

[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16587266) has the molecular formula C29H22N2O5 and a molecular weight of 478.50 g/mol. Its IUPAC name is [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID16587266
Molecular FormulaC29H22N2O5
Molecular Weight478.50 g/mol
Exact Mass478.15
IUPAC Name[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C29H22N2O5/c32-27(30-20-14-16-22(17-15-20)36-21-8-2-1-3-9-21)19-35-28(33)18-31-25-12-6-4-10-23(25)29(34)24-11-5-7-13-26(24)31/h1-17H,18-19H2,(H,30,32)
InChIKeyCECFUEUSWMJBQM-UHFFFAOYSA-N
XLogP5.13
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.50
LogP ≤ 55.13
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

[2-(4-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587173
[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587205
[2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587301
[2-(2-bromoanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587263
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587225
2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 6615367
[2-(benzhydrylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587232
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587252
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612358
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587212
phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide
CID 55840369

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate (CID 16587266) is [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate is O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is CECFUEUSWMJBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O5/c32-27(30-20-14-16-22(17-15-20)36-21-8-2-1-3-9-21)19-35-28(33)18-31-25-12-6-4-10-23(25)29(34)24-11-5-7-13-26(24)31/h1-17H,18-19H2,(H,30,32).
What are the key properties of [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate?
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 478.50 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16587266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).