N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide

C22H24N4O3 — CID 1306519

IUPACN,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1
InChIInChI=1S/C22H24N4O3/c1-4-25(5-2)21(28)16-10-12-17(13-11-16)23-20(27)14-26-22(29)19-9-7-6-8-18(19)15(3)24-26/h6-13H,4-5,14H2,1-3H3,(H,23,27)
InChIKeyCVVVAXXFINRDLE-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.83
Rot. Bonds6

About N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide

N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide (PubChem CID 1306519) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
PubChem CID1306519
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1
InChIInChI=1S/C22H24N4O3/c1-4-25(5-2)21(28)16-10-12-17(13-11-16)23-20(27)14-26-22(29)19-9-7-6-8-18(19)15(3)24-26/h6-13H,4-5,14H2,1-3H3,(H,23,27)
InChIKeyCVVVAXXFINRDLE-UHFFFAOYSA-N
XLogP2.83
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide (CID 1306519) is N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide?
The InChIKey is CVVVAXXFINRDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-25(5-2)21(28)16-10-12-17(13-11-16)23-20(27)14-26-22(29)19-9-7-6-8-18(19)15(3)24-26/h6-13H,4-5,14H2,1-3H3,(H,23,27).
What are the key properties of N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide?
N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide has a molecular weight of 392.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 1306519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).