2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide

C20H21N3O3 — CID 2025937

IUPAC2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C20H21N3O3/c1-13(2)21-18(24)12-26-15-10-8-14(9-11-15)19-16-6-4-5-7-17(16)20(25)23(3)22-19/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyLIEHRPOWMBNVNT-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.50
Rot. Bonds5

About 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide

2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide (PubChem CID 2025937) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide
PubChem CID2025937
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C20H21N3O3/c1-13(2)21-18(24)12-26-15-10-8-14(9-11-15)19-16-6-4-5-7-17(16)20(25)23(3)22-19/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyLIEHRPOWMBNVNT-UHFFFAOYSA-N
XLogP2.50
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1290808
2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1291720
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1087197
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301808
N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide
CID 157040140
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 90489974
2-[6-(1-methyl-6-oxo-3-pyridinyl)naphthalen-2-yl]oxy-N-propan-2-ylacetamide
CID 172665316
[2-oxo-2-(propan-2-ylamino)ethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 2602836
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
CID 4732908
2-methyl-4-(4-nitrophenyl)phthalazin-1-one
CID 19957132
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 2486684

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide (CID 2025937) is 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide?
The InChIKey is LIEHRPOWMBNVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(2)21-18(24)12-26-15-10-8-14(9-11-15)19-16-6-4-5-7-17(16)20(25)23(3)22-19/h4-11,13H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide?
2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide has a molecular weight of 351.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 2025937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).