[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate

C26H24N2O4 — CID 51479653

IUPAC[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate
SMILESCc1ccc(CNC(=O)[C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C26H24N2O4/c1-17-11-13-19(14-12-17)15-27-26(31)18(2)32-24(29)16-28-22-9-5-3-7-20(22)25(30)21-8-4-6-10-23(21)28/h3-14,18H,15-16H2,1-2H3,(H,27,31)/t18-/m0/s1
InChIKeyGECAXLUVOOJLOU-SFHVURJKSA-N
MW428.49 g/mol
LogP3.71
Rot. Bonds6

About [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate

[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 51479653) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID51479653
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate
SMILESCc1ccc(CNC(=O)[C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C26H24N2O4/c1-17-11-13-19(14-12-17)15-27-26(31)18(2)32-24(29)16-28-22-9-5-3-7-20(22)25(30)21-8-4-6-10-23(21)28/h3-14,18H,15-16H2,1-2H3,(H,27,31)/t18-/m0/s1
InChIKeyGECAXLUVOOJLOU-SFHVURJKSA-N
XLogP3.71
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate
CID 16587290
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400679
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 8958934
[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 55463532
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 7165096
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 7165095
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8957877
2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 46761712
N-[(4-acetamidophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 18154273
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063142
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9061147
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate (CID 51479653) is [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate is Cc1ccc(CNC(=O)[C@H](C)OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1.
What is the InChIKey of [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is GECAXLUVOOJLOU-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-17-11-13-19(14-12-17)15-27-26(31)18(2)32-24(29)16-28-22-9-5-3-7-20(22)25(30)21-8-4-6-10-23(21)28/h3-14,18H,15-16H2,1-2H3,(H,27,31)/t18-/m0/s1.
What are the key properties of [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate?
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 428.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 51479653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).