N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C19H19N3O3 — CID 7578327

IUPACN-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O3/c1-3-25-14-10-8-13(9-11-14)20-18(23)12-17-15-6-4-5-7-16(15)19(24)22(2)21-17/h4-11H,3,12H2,1-2H3,(H,20,23)
InChIKeyVUXXXNBZNGMYAK-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.51
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 7578327) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID7578327
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O3/c1-3-25-14-10-8-13(9-11-14)20-18(23)12-17-15-6-4-5-7-16(15)19(24)22(2)21-17/h4-11H,3,12H2,1-2H3,(H,20,23)
InChIKeyVUXXXNBZNGMYAK-UHFFFAOYSA-N
XLogP2.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71890002
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17321943
N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71552342
2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 17460529
N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 55799265
N-(1,3-benzoxazol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71552259
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 34607272
N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide
CID 55796721
N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17122264
N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 16604825
N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 56761805

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 7578327) is N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is CCOc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is VUXXXNBZNGMYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-25-14-10-8-13(9-11-14)20-18(23)12-17-15-6-4-5-7-16(15)19(24)22(2)21-17/h4-11H,3,12H2,1-2H3,(H,20,23).
What are the key properties of N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 7578327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).