methyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate

C22H23N3O4 — CID 122233963

IUPACmethyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1nc(-c2c(C)cc(C)cc2C)c2ccccc2c1=O
InChIInChI=1S/C22H23N3O4/c1-13-9-14(2)20(15(3)10-13)21-16-7-5-6-8-17(16)22(28)25(24-21)12-18(26)23-11-19(27)29-4/h5-10H,11-12H2,1-4H3,(H,23,26)
InChIKeyUOXQMRXDRNYFHS-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.28
Rot. Bonds5

About methyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate

methyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate (PubChem CID 122233963) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is methyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate
PubChem CID122233963
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Namemethyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1nc(-c2c(C)cc(C)cc2C)c2ccccc2c1=O
InChIInChI=1S/C22H23N3O4/c1-13-9-14(2)20(15(3)10-13)21-16-7-5-6-8-17(16)22(28)25(24-21)12-18(26)23-11-19(27)29-4/h5-10H,11-12H2,1-4H3,(H,23,26)
InChIKeyUOXQMRXDRNYFHS-UHFFFAOYSA-N
XLogP2.28
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate with MolForge

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Related Compounds

ethyl N-[[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]methyl]carbamate
CID 153490287
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate
CID 91938956
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 38295923
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36658790
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
ethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate
CID 110193707
2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
CID 55390619
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632
methyl 2-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]acetate
CID 126202627
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate (CID 122233963) is methyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate is COC(=O)CNC(=O)Cn1nc(-c2c(C)cc(C)cc2C)c2ccccc2c1=O.
What is the InChIKey of methyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate?
The InChIKey is UOXQMRXDRNYFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13-9-14(2)20(15(3)10-13)21-16-7-5-6-8-17(16)22(28)25(24-21)12-18(26)23-11-19(27)29-4/h5-10H,11-12H2,1-4H3,(H,23,26).
What are the key properties of methyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate?
methyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate has a molecular weight of 393.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]acetyl]amino]acetate is sourced from PubChem (CID 122233963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).