N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C21H25N3O2 — CID 46558629

IUPACN-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12
InChIInChI=1S/C21H25N3O2/c1-13-17-4-2-3-5-18(17)20(26)24(23-13)12-19(25)22-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3,(H,22,25)
InChIKeyKEIQRHYLPZOWMD-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.79
Rot. Bonds3

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

N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 46558629) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID46558629
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12
InChIInChI=1S/C21H25N3O2/c1-13-17-4-2-3-5-18(17)20(26)24(23-13)12-19(25)22-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3,(H,22,25)
InChIKeyKEIQRHYLPZOWMD-UHFFFAOYSA-N
XLogP2.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
CID 7290171
N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
CID 90485291
N-(1-adamantyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 17402328
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857351
4-methyl-2-(2-oxobutyl)phthalazin-1-one
CID 70794390
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 111426350
3-[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 7984777
N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108795070

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 46558629) is N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12.
What is the InChIKey of N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is KEIQRHYLPZOWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-13-17-4-2-3-5-18(17)20(26)24(23-13)12-19(25)22-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3,(H,22,25).
What are the key properties of N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 46558629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).