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

C20H20N4O3 — CID 18156584

IUPAC3-[2-(3-ethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide
SMILESCCc1cccc(NC(=O)Cn2nc(C(=O)NC)c3ccccc3c2=O)c1
InChIInChI=1S/C20H20N4O3/c1-3-13-7-6-8-14(11-13)22-17(25)12-24-20(27)16-10-5-4-9-15(16)18(23-24)19(26)21-2/h4-11H,3,12H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyDFZSVVUAYVLLPX-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.96
Rot. Bonds5

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

3-[2-(3-ethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 18156584) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[2-(3-ethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(3-ethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide
PubChem CID18156584
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-[2-(3-ethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide
SMILESCCc1cccc(NC(=O)Cn2nc(C(=O)NC)c3ccccc3c2=O)c1
InChIInChI=1S/C20H20N4O3/c1-3-13-7-6-8-14(11-13)22-17(25)12-24-20(27)16-10-5-4-9-15(16)18(23-24)19(26)21-2/h4-11H,3,12H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyDFZSVVUAYVLLPX-UHFFFAOYSA-N
XLogP1.96
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide
CID 18156568
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
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
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)acetamide
CID 3647379
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 51208453
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 29445007
3-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2388769
N-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
CID 53048273
[2-(3-methylanilino)-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 7270722
3-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539285
3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2386658

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-[2-(3-ethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide (CID 18156584) is 3-[2-(3-ethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-[2-(3-ethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-[2-(3-ethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide is CCc1cccc(NC(=O)Cn2nc(C(=O)NC)c3ccccc3c2=O)c1.
What is the InChIKey of 3-[2-(3-ethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is DFZSVVUAYVLLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-13-7-6-8-14(11-13)22-17(25)12-24-20(27)16-10-5-4-9-15(16)18(23-24)19(26)21-2/h4-11H,3,12H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 3-[2-(3-ethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide?
3-[2-(3-ethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 18156584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).