N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide

C24H21N3O3 — CID 51339146

IUPACN,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1
InChIInChI=1S/C24H21N3O3/c1-26(2)24(30)16-8-7-9-17(14-16)25-22(28)15-27-20-12-5-3-10-18(20)23(29)19-11-4-6-13-21(19)27/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyXKYZBVXKRFOWDD-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.50
Rot. Bonds4

About N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide

N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide (PubChem CID 51339146) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
PubChem CID51339146
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1
InChIInChI=1S/C24H21N3O3/c1-26(2)24(30)16-8-7-9-17(14-16)25-22(28)15-27-20-12-5-3-10-18(20)23(29)19-11-4-6-13-21(19)27/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyXKYZBVXKRFOWDD-UHFFFAOYSA-N
XLogP3.50
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
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-(3-chlorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15991917
2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide
CID 60622690
2-(3-chloro-9-oxoacridin-10-yl)-N-(3-chlorophenyl)acetamide
CID 22330394
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
2-(2-methoxy-9-oxoacridin-10-yl)-N-(3-methoxyphenyl)acetamide
CID 15992736
N,N-dimethyl-3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 33366215
N-(3-fluorophenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 15993730
N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
CID 30378601
N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide
CID 33366231
2-(2-fluoro-9-oxoacridin-10-yl)-N-phenylacetamide
CID 166637503
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 31927837
N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16583698

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide (CID 51339146) is N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide is CN(C)C(=O)c1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1.
What is the InChIKey of N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide?
The InChIKey is XKYZBVXKRFOWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-26(2)24(30)16-8-7-9-17(14-16)25-22(28)15-27-20-12-5-3-10-18(20)23(29)19-11-4-6-13-21(19)27/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide?
N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide is sourced from PubChem (CID 51339146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).