N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide

C25H23N3O4 — CID 50815605

IUPACN-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cn3c(=O)c(=O)n(C)c4ccccc43)cc2)cc1
InChIInChI=1S/C25H23N3O4/c1-27-21-5-3-4-6-22(21)28(25(31)24(27)30)16-18-7-11-19(12-8-18)23(29)26-15-17-9-13-20(32-2)14-10-17/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyYMYNXYXHJHBQEW-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.69
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide

N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide (PubChem CID 50815605) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
PubChem CID50815605
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cn3c(=O)c(=O)n(C)c4ccccc43)cc2)cc1
InChIInChI=1S/C25H23N3O4/c1-27-21-5-3-4-6-22(21)28(25(31)24(27)30)16-18-7-11-19(12-8-18)23(29)26-15-17-9-13-20(32-2)14-10-17/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyYMYNXYXHJHBQEW-UHFFFAOYSA-N
XLogP2.69
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815654
3-benzyl-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10181036
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 50815790
4-[(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 50817177
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 17008696
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17009016
N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-phenylpropyl)quinazoline-6-carboxamide
CID 10115305
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 50815789
3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10187024

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide (CID 50815605) is N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(Cn3c(=O)c(=O)n(C)c4ccccc43)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide?
The InChIKey is YMYNXYXHJHBQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-27-21-5-3-4-6-22(21)28(25(31)24(27)30)16-18-7-11-19(12-8-18)23(29)26-15-17-9-13-20(32-2)14-10-17/h3-14H,15-16H2,1-2H3,(H,26,29).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide?
N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide has a molecular weight of 429.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide is sourced from PubChem (CID 50815605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).