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

C19H19N3O3 — CID 90489979

IUPACN-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C19H19N3O3/c1-13-7-3-6-10-17(13)25-12-18(23)20-11-16-14-8-4-5-9-15(14)19(24)22(2)21-16/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyGFYATYCDIBONAQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.94
Rot. Bonds5

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

N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide (PubChem CID 90489979) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
PubChem CID90489979
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C19H19N3O3/c1-13-7-3-6-10-17(13)25-12-18(23)20-11-16-14-8-4-5-9-15(14)19(24)22(2)21-16/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyGFYATYCDIBONAQ-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90490226
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 90489974
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 8627574
tert-butyl N-[(3-methyl-4-oxophthalazin-1-yl)methyl]carbamate
CID 71779480
2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489934
4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489941
N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 110782279
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 19333020
1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90489843
1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea
CID 90490062
1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 71779482
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide
CID 121048595

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide (CID 90489979) is N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCc1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is GFYATYCDIBONAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-7-3-6-10-17(13)25-12-18(23)20-11-16-14-8-4-5-9-15(14)19(24)22(2)21-16/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide?
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 337.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 90489979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).