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

C18H17N3O2 — CID 17129197

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)c1
InChIInChI=1S/C18H17N3O2/c1-12-6-5-7-14(10-12)19-17(22)11-21-18(23)16-9-4-3-8-15(16)13(2)20-21/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyBJWYPMSBIWROEG-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.65
Rot. Bonds3

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

2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide (PubChem CID 17129197) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
PubChem CID17129197
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)c1
InChIInChI=1S/C18H17N3O2/c1-12-6-5-7-14(10-12)19-17(22)11-21-18(23)16-9-4-3-8-15(16)13(2)20-21/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyBJWYPMSBIWROEG-UHFFFAOYSA-N
XLogP2.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 29445007
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 51208453
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 38295923
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
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-methylphenyl)acetamide
CID 745849
2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 55674390
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide
CID 53056535
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide (CID 17129197) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)c1.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is BJWYPMSBIWROEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-6-5-7-14(10-12)19-17(22)11-21-18(23)16-9-4-3-8-15(16)13(2)20-21/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.65, 3 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-methylphenyl)acetamide is sourced from PubChem (CID 17129197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).