N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C19H19N3O3 — CID 3236385

IUPACN-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O3/c1-22-19(24)16-6-4-3-5-15(16)17(21-22)11-18(23)20-12-13-7-9-14(25-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyXMDMAMVWPJFRRY-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.80
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 3236385) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID3236385
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O3/c1-22-19(24)16-6-4-3-5-15(16)17(21-22)11-18(23)20-12-13-7-9-14(25-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyXMDMAMVWPJFRRY-UHFFFAOYSA-N
XLogP1.80
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenethyl)benzamide
CID 3083797
N-(4-methoxybenzyl)biphenyl-4-carboxamide
CID 710674
N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
N-[(4-methoxyphenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10158653
2-Methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]phthalazin-1-one
CID 56665357
2-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]phthalazin-1-one
CID 56668789
4-isopropyl-N-(4-methoxybenzyl)benzamide
CID 897223
N-(2-(3,4-Dimethoxyphenyl)ethyl)-3,4-dihydro-3-methyl-4-oxo-1-phthalazineacetamide
CID 1072359
4-[(4-methoxyanilino)methyl]-1(2H)-phthalazinone
CID 1482305
4-methoxy-N-(3-phenylpropyl)benzamide
CID 1744311
2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
4-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(2-azanyl-2-oxidanylidene-ethyl)benzamide
CID 132471729

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 3236385) is N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is COc1ccc(CNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is XMDMAMVWPJFRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-22-19(24)16-6-4-3-5-15(16)17(21-22)11-18(23)20-12-13-7-9-14(25-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 3236385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).