N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide

C19H19N3O4 — CID 55878594

IUPACN-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCOCCOc1cccc(NC(=O)Cn2ncc3ccccc3c2=O)c1
InChIInChI=1S/C19H19N3O4/c1-25-9-10-26-16-7-4-6-15(11-16)21-18(23)13-22-19(24)17-8-3-2-5-14(17)12-20-22/h2-8,11-12H,9-10,13H2,1H3,(H,21,23)
InChIKeyLWKIZJOYKCPFAY-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.06
Rot. Bonds7

About N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide

N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 55878594) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID55878594
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCOCCOc1cccc(NC(=O)Cn2ncc3ccccc3c2=O)c1
InChIInChI=1S/C19H19N3O4/c1-25-9-10-26-16-7-4-6-15(11-16)21-18(23)13-22-19(24)17-8-3-2-5-14(17)12-20-22/h2-8,11-12H,9-10,13H2,1H3,(H,21,23)
InChIKeyLWKIZJOYKCPFAY-UHFFFAOYSA-N
XLogP2.06
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzoate
CID 27687032
ethyl 5-methyl-1-[3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]phenyl]pyrazole-4-carboxylate
CID 33256895
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369041
N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55879347
2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54814501
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169791
2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 22693446
N-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 46980724
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707
N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 55574362
2-(2-methoxyethylamino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54819962

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide (CID 55878594) is N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide is COCCOc1cccc(NC(=O)Cn2ncc3ccccc3c2=O)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is LWKIZJOYKCPFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-25-9-10-26-16-7-4-6-15(11-16)21-18(23)13-22-19(24)17-8-3-2-5-14(17)12-20-22/h2-8,11-12H,9-10,13H2,1H3,(H,21,23).
What are the key properties of N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 55878594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).