2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide

C25H23N3O3 — CID 3659263

IUPAC2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C
InChIInChI=1S/C25H23N3O3/c1-16-12-13-17(23-19-8-4-5-9-20(19)25(30)28(2)27-23)14-18(16)15-26-24(29)21-10-6-7-11-22(21)31-3/h4-14H,15H2,1-3H3,(H,26,29)
InChIKeyWGNRPVWIMVJWBO-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.85
Rot. Bonds5

About 2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide

2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide (PubChem CID 3659263) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide
PubChem CID3659263
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C
InChIInChI=1S/C25H23N3O3/c1-16-12-13-17(23-19-8-4-5-9-20(19)25(30)28(2)27-23)14-18(16)15-26-24(29)21-10-6-7-11-22(21)31-3/h4-14H,15H2,1-3H3,(H,26,29)
InChIKeyWGNRPVWIMVJWBO-UHFFFAOYSA-N
XLogP3.85
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide (CID 3659263) is 2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide is COc1ccccc1C(=O)NCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C.
What is the InChIKey of 2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide?
The InChIKey is WGNRPVWIMVJWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-12-13-17(23-19-8-4-5-9-20(19)25(30)28(2)27-23)14-18(16)15-26-24(29)21-10-6-7-11-22(21)31-3/h4-14H,15H2,1-3H3,(H,26,29).
What are the key properties of 2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide?
2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide has a molecular weight of 413.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 3659263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).