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

C19H25N3O2 — CID 51179223

IUPACN-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCCCC2)c(=O)c2ccccc12
InChIInChI=1S/C19H25N3O2/c1-14-16-11-7-8-12-17(16)19(24)22(21-14)13-18(23)20-15-9-5-3-2-4-6-10-15/h7-8,11-12,15H,2-6,9-10,13H2,1H3,(H,20,23)
InChIKeyVMFQPGMXRSKROC-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.93
Rot. Bonds3

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

N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 51179223) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID51179223
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCCCC2)c(=O)c2ccccc12
InChIInChI=1S/C19H25N3O2/c1-14-16-11-7-8-12-17(16)19(24)22(21-14)13-18(23)20-15-9-5-3-2-4-6-10-15/h7-8,11-12,15H,2-6,9-10,13H2,1H3,(H,20,23)
InChIKeyVMFQPGMXRSKROC-UHFFFAOYSA-N
XLogP2.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857351
3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 4963609
N-cycloheptyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)acetamide
CID 22513943
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
CID 7290171
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95138432
N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 111426350
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 86965656
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 45229156
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 46558629
N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 38283424

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 51179223) is N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)NC2CCCCCCC2)c(=O)c2ccccc12.
What is the InChIKey of N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is VMFQPGMXRSKROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-16-11-7-8-12-17(16)19(24)22(21-14)13-18(23)20-15-9-5-3-2-4-6-10-15/h7-8,11-12,15H,2-6,9-10,13H2,1H3,(H,20,23).
What are the key properties of N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 51179223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).