2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide

C26H24N4O3 — CID 55466633

IUPAC2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C26H24N4O3/c1-17-11-13-18(14-12-17)16-27-25(32)21-9-5-6-10-22(21)28-24(31)15-23-19-7-3-4-8-20(19)26(33)30(2)29-23/h3-14H,15-16H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyCSKRQKPZOXIGHF-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.35
Rot. Bonds6

About 2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide

2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 55466633) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID55466633
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C26H24N4O3/c1-17-11-13-18(14-12-17)16-27-25(32)21-9-5-6-10-22(21)28-24(31)15-23-19-7-3-4-8-20(19)26(33)30(2)29-23/h3-14H,15-16H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyCSKRQKPZOXIGHF-UHFFFAOYSA-N
XLogP3.35
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
3-[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539223
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 8958934
2-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 8010305
2-[[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55327722
2-[[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 16518695
N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 16604825
2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide
CID 646119
N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
CID 78817610
N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
CID 55668082
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90489856
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide (CID 55466633) is 2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccccc2NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of 2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is CSKRQKPZOXIGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17-11-13-18(14-12-17)16-27-25(32)21-9-5-6-10-22(21)28-24(31)15-23-19-7-3-4-8-20(19)26(33)30(2)29-23/h3-14H,15-16H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of 2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 440.50 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 55466633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).