2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide

C16H19N3O3 — CID 46971133

IUPAC2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide
SMILESCOc1nn(CC(=O)NC2(C)CCC2)c(=O)c2ccccc12
InChIInChI=1S/C16H19N3O3/c1-16(8-5-9-16)17-13(20)10-19-15(21)12-7-4-3-6-11(12)14(18-19)22-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,17,20)
InChIKeySRBWUNFIAANBRO-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.46
Rot. Bonds4

About 2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide

2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide (PubChem CID 46971133) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide
PubChem CID46971133
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide
SMILESCOc1nn(CC(=O)NC2(C)CCC2)c(=O)c2ccccc12
InChIInChI=1S/C16H19N3O3/c1-16(8-5-9-16)17-13(20)10-19-15(21)12-7-4-3-6-11(12)14(18-19)22-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,17,20)
InChIKeySRBWUNFIAANBRO-UHFFFAOYSA-N
XLogP1.46
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(4-methoxy-1-oxophthalazin-2-yl)acetamide
CID 51597569
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methoxy-1-oxophthalazin-2-yl)acetamide
CID 51592399
N-[1-(4-methoxyphenyl)cyclohexyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 16674696
2-(4-ethoxy-1-oxophthalazin-2-yl)acetic acid
CID 6497083
N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 46558629
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
N-(3,5-dimethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
CID 53137015
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
3-[2-(methylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2363202
N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
CID 7290171
ethyl 2-[4-(2-ethoxy-2-oxoethoxy)-1-oxophthalazin-2-yl]acetate
CID 75123935

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide?
The IUPAC name of 2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide (CID 46971133) is 2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide?
The canonical SMILES for 2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide is COc1nn(CC(=O)NC2(C)CCC2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide?
The InChIKey is SRBWUNFIAANBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-16(8-5-9-16)17-13(20)10-19-15(21)12-7-4-3-6-11(12)14(18-19)22-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,17,20).
What are the key properties of 2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide?
2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-oxophthalazin-2-yl)-N-(1-methylcyclobutyl)acetamide is sourced from PubChem (CID 46971133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).