3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide

C20H20N4O3 — CID 18156568

IUPAC3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide
SMILESCNC(=O)c1nn(CC(=O)Nc2cccc(C)c2C)c(=O)c2ccccc12
InChIInChI=1S/C20H20N4O3/c1-12-7-6-10-16(13(12)2)22-17(25)11-24-20(27)15-9-5-4-8-14(15)18(23-24)19(26)21-3/h4-10H,11H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyJZVJRTWNNFJFHV-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.01
Rot. Bonds4

About 3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide

3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 18156568) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide
PubChem CID18156568
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide
SMILESCNC(=O)c1nn(CC(=O)Nc2cccc(C)c2C)c(=O)c2ccccc12
InChIInChI=1S/C20H20N4O3/c1-12-7-6-10-16(13(12)2)22-17(25)11-24-20(27)15-9-5-4-8-14(15)18(23-24)19(26)21-3/h4-10H,11H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyJZVJRTWNNFJFHV-UHFFFAOYSA-N
XLogP2.01
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-ethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide
CID 18156584
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
1-(2,3-dimethylphenyl)-3-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]thiourea
CID 7923440
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 7190114
3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9399186
3-benzyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide
CID 46434266
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
3-[2-(2-methylsulfonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16611098
3-[2-(methylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2363202
N-methyl-4-oxo-3-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]phthalazine-1-carboxamide
CID 78840085
N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208461
3-[2-(2-chloroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2351837

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide (CID 18156568) is 3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide is CNC(=O)c1nn(CC(=O)Nc2cccc(C)c2C)c(=O)c2ccccc12.
What is the InChIKey of 3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is JZVJRTWNNFJFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-7-6-10-16(13(12)2)22-17(25)11-24-20(27)15-9-5-4-8-14(15)18(23-24)19(26)21-3/h4-10H,11H2,1-3H3,(H,21,26)(H,22,25).
What are the key properties of 3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide?
3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 18156568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).