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

C21H23N3O2 — CID 16604825

IUPACN-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCCC(C)c1ccccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C21H23N3O2/c1-4-14(2)15-9-7-8-12-18(15)22-20(25)13-19-16-10-5-6-11-17(16)21(26)24(3)23-19/h5-12,14H,4,13H2,1-3H3,(H,22,25)
InChIKeyJGJIJVFHIIUPRZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.63
Rot. Bonds5

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

N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 16604825) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID16604825
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCCC(C)c1ccccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C21H23N3O2/c1-4-14(2)15-9-7-8-12-18(15)22-20(25)13-19-16-10-5-6-11-17(16)21(26)24(3)23-19/h5-12,14H,4,13H2,1-3H3,(H,22,25)
InChIKeyJGJIJVFHIIUPRZ-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 2670711
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 7352355
2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide
CID 646119
N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 7578327
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301808
N-(4-bromo-2-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 5077744
N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 55799265
N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 120831381
2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55466633
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55699275

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 16604825) is N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is CCC(C)c1ccccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is JGJIJVFHIIUPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-14(2)15-9-7-8-12-18(15)22-20(25)13-19-16-10-5-6-11-17(16)21(26)24(3)23-19/h5-12,14H,4,13H2,1-3H3,(H,22,25).
What are the key properties of N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 16604825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).