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

C25H23N3O3 — CID 1298762

IUPACN-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide
SMILESCOc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccc(C)cc1
InChIInChI=1S/C25H23N3O3/c1-16-8-10-17(11-9-16)24(29)26-15-19-14-18(12-13-22(19)31-3)23-20-6-4-5-7-21(20)25(30)28(2)27-23/h4-14H,15H2,1-3H3,(H,26,29)
InChIKeyYDRFAFFONINRRS-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.85
Rot. Bonds5

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

N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide (PubChem CID 1298762) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide
PubChem CID1298762
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide
SMILESCOc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccc(C)cc1
InChIInChI=1S/C25H23N3O3/c1-16-8-10-17(11-9-16)24(29)26-15-19-14-18(12-13-22(19)31-3)23-20-6-4-5-7-21(20)25(30)28(2)27-23/h4-14H,15H2,1-3H3,(H,26,29)
InChIKeyYDRFAFFONINRRS-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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Related Compounds

2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide
CID 3659263
N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-nitrobenzamide
CID 1422228
N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 1314910
N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1087197
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923
1-[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]ethanone;[4-[4-(4-methylbenzoyl)phenyl]phenyl]-(4-methylphenyl)methanone;2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one
CID 161361548
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913
4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489941
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 31526897
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide (CID 1298762) is N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide is COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide?
The InChIKey is YDRFAFFONINRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-8-10-17(11-9-16)24(29)26-15-19-14-18(12-13-22(19)31-3)23-20-6-4-5-7-21(20)25(30)28(2)27-23/h4-14H,15H2,1-3H3,(H,26,29).
What are the key properties of N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide?
N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide 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 N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 1298762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).