N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C25H20N4O4 — CID 47093140

IUPACN-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCOc1cc(C#N)ccc1Oc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1
InChIInChI=1S/C25H20N4O4/c1-16-20-5-3-4-6-21(20)25(31)29(28-16)15-24(30)27-18-8-10-19(11-9-18)33-22-12-7-17(14-26)13-23(22)32-2/h3-13H,15H2,1-2H3,(H,27,30)
InChIKeyXLADZQXYYWXMGU-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.02
Rot. Bonds6

About N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 47093140) has the molecular formula C25H20N4O4 and a molecular weight of 440.46 g/mol. Its IUPAC name is N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID47093140
Molecular FormulaC25H20N4O4
Molecular Weight440.46 g/mol
Exact Mass440.15
IUPAC NameN-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCOc1cc(C#N)ccc1Oc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1
InChIInChI=1S/C25H20N4O4/c1-16-20-5-3-4-6-21(20)25(31)29(28-16)15-24(30)27-18-8-10-19(11-9-18)33-22-12-7-17(14-26)13-23(22)32-2/h3-13H,15H2,1-2H3,(H,27,30)
InChIKeyXLADZQXYYWXMGU-UHFFFAOYSA-N
XLogP4.02
TPSA106.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 1458003
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 52850188
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 134053822
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 42009753
N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 1314910
N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 48872680
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 51208453
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 29445007

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 47093140) is N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is COc1cc(C#N)ccc1Oc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1.
What is the InChIKey of N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is XLADZQXYYWXMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4/c1-16-20-5-3-4-6-21(20)25(31)29(28-16)15-24(30)27-18-8-10-19(11-9-18)33-22-12-7-17(14-26)13-23(22)32-2/h3-13H,15H2,1-2H3,(H,27,30).
What are the key properties of N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 440.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 47093140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).