N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide

C25H23N3O3 — CID 38744100

IUPACN-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C25H23N3O3/c1-26-25(31)18-13-11-17(12-14-18)15-27(2)23(29)16-28-21-9-5-3-7-19(21)24(30)20-8-4-6-10-22(20)28/h3-14H,15-16H2,1-2H3,(H,26,31)
InChIKeyHDMGFYQQTOYHAF-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.17
Rot. Bonds5

About N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide (PubChem CID 38744100) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide
PubChem CID38744100
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C25H23N3O3/c1-26-25(31)18-13-11-17(12-14-18)15-27(2)23(29)16-28-21-9-5-3-7-19(21)24(30)20-8-4-6-10-22(20)28/h3-14H,15-16H2,1-2H3,(H,26,31)
InChIKeyHDMGFYQQTOYHAF-UHFFFAOYSA-N
XLogP3.17
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.17
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

4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38745501
4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38744872
N-methyl-N-(naphthalen-2-ylmethyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16621695
4-[[[2-(2-ethylbenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38746243
N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide
CID 40669784
N-[(3-fluorophenyl)methyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 18144983
N-(2-hydroxyethyl)-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 110885996
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
CID 52553414
N-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46413115
4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-4-oxobutanoic acid
CID 60699252
N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide
CID 25348614
N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 60598710

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide (CID 38744100) is N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide?
The InChIKey is HDMGFYQQTOYHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-26-25(31)18-13-11-17(12-14-18)15-27(2)23(29)16-28-21-9-5-3-7-19(21)24(30)20-8-4-6-10-22(20)28/h3-14H,15-16H2,1-2H3,(H,26,31).
What are the key properties of N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide has a molecular weight of 413.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 38744100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).