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

C20H21N3O2 — CID 29445007

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2cccc(C(C)C)c2)c(=O)c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-13(2)15-7-6-8-16(11-15)21-19(24)12-23-20(25)18-10-5-4-9-17(18)14(3)22-23/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyPVVHUICYTCSPPB-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.47
Rot. Bonds4

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

2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 29445007) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide
PubChem CID29445007
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2cccc(C(C)C)c2)c(=O)c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-13(2)15-7-6-8-16(11-15)21-19(24)12-23-20(25)18-10-5-4-9-17(18)14(3)22-23/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyPVVHUICYTCSPPB-UHFFFAOYSA-N
XLogP3.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 51208453
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43445437
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
2-(4-methyl-1-oxophthalazin-2-yl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 25493110
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 55674390
2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 122175769
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36526843

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide (CID 29445007) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide is Cc1nn(CC(=O)Nc2cccc(C(C)C)c2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is PVVHUICYTCSPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(2)15-7-6-8-16(11-15)21-19(24)12-23-20(25)18-10-5-4-9-17(18)14(3)22-23/h4-11,13H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 29445007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).