2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide

C25H23N3O3 — CID 34563069

IUPAC2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C25H23N3O3/c1-16(2)26-25(31)17-9-3-6-12-20(17)27-23(29)15-28-21-13-7-4-10-18(21)24(30)19-11-5-8-14-22(19)28/h3-14,16H,15H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyDIHZUYJKVRFZPT-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.93
Rot. Bonds5

About 2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide

2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 34563069) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID34563069
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C25H23N3O3/c1-16(2)26-25(31)17-9-3-6-12-20(17)27-23(29)15-28-21-13-7-4-10-18(21)24(30)19-11-5-8-14-22(19)28/h3-14,16H,15H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyDIHZUYJKVRFZPT-UHFFFAOYSA-N
XLogP3.93
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 4639629
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299
ethyl 2-[[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]amino]benzoate
CID 16587255
2-(9-oxoacridin-10-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 16583770
N-(2-benzylsulfanylphenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16583758
N-[1-(4-fluorophenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46550695
N-(2-methyl-1-phenylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16606060
N-(1-ethyl-4-oxo-3-pyridinyl)-2-(9-oxoacridin-10-yl)acetamide
CID 91646643
2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 1085704
tert-butyl N-methyl-N-[[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]methyl]carbamate
CID 47082214
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide (CID 34563069) is 2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of 2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is DIHZUYJKVRFZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16(2)26-25(31)17-9-3-6-12-20(17)27-23(29)15-28-21-13-7-4-10-18(21)24(30)19-11-5-8-14-22(19)28/h3-14,16H,15H2,1-2H3,(H,26,31)(H,27,29).
What are the key properties of 2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide?
2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 413.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 34563069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).