N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide

C17H15N3O5 — CID 110734424

IUPACN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C17H15N3O5/c1-24-12-7-2-3-8-13(12)25-9-14(21)18-11-6-4-5-10-15(11)17(23)20-19-16(10)22/h2-8H,9H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyMMPBBUQQCIXWCL-UHFFFAOYSA-N
MW341.32 g/mol
LogP1.24
Rot. Bonds5

About N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide (PubChem CID 110734424) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide
PubChem CID110734424
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C17H15N3O5/c1-24-12-7-2-3-8-13(12)25-9-14(21)18-11-6-4-5-10-15(11)17(23)20-19-16(10)22/h2-8H,9H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyMMPBBUQQCIXWCL-UHFFFAOYSA-N
XLogP1.24
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide
CID 110734458
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-methoxyphenyl)propanamide
CID 110734435
N-(2-acetamidophenyl)-2-(2-methoxyphenoxy)acetamide
CID 3601272
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 48735974
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399
N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylphenyl)acetamide
CID 112996058
4-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 60651857
2-(2-methoxyphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130870
2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 2627702
2-(2-methoxyphenoxy)-N-(2-methylquinolin-8-yl)acetamide
CID 17012818
N-(2,6-difluorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 970586

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide (CID 110734424) is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide?
The InChIKey is MMPBBUQQCIXWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-24-12-7-2-3-8-13(12)25-9-14(21)18-11-6-4-5-10-15(11)17(23)20-19-16(10)22/h2-8H,9H2,1H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide?
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 341.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 110734424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).