2-(4-benzyl-1-oxophthalazin-2-yl)-N-[2-(diethylamino)ethyl]acetamide

C23H28N4O2 — CID 2288386

IUPAC2-(4-benzyl-1-oxophthalazin-2-yl)-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C23H28N4O2/c1-3-26(4-2)15-14-24-22(28)17-27-23(29)20-13-9-8-12-19(20)21(25-27)16-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3,(H,24,28)
InChIKeyHFXBMMGDSDQFGE-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.45
Rot. Bonds9

About 2-(4-benzyl-1-oxophthalazin-2-yl)-N-[2-(diethylamino)ethyl]acetamide

2-(4-benzyl-1-oxophthalazin-2-yl)-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 2288386) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(4-benzyl-1-oxophthalazin-2-yl)-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzyl-1-oxophthalazin-2-yl)-N-[2-(diethylamino)ethyl]acetamide
PubChem CID2288386
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-(4-benzyl-1-oxophthalazin-2-yl)-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C23H28N4O2/c1-3-26(4-2)15-14-24-22(28)17-27-23(29)20-13-9-8-12-19(20)21(25-27)16-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3,(H,24,28)
InChIKeyHFXBMMGDSDQFGE-UHFFFAOYSA-N
XLogP2.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[2-(diethylamino)ethyl]indeno[1,2,3-de]phthalazin-3(2H)-one
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CID 9589606
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CID 10237099
4-({3-[(4-Acetyl-1,4-diazepan-1-yl)carbonyl]-4-fluorophenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25132610
4-[[3-(Piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 25132612

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-1-oxophthalazin-2-yl)-N-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-(4-benzyl-1-oxophthalazin-2-yl)-N-[2-(diethylamino)ethyl]acetamide (CID 2288386) is 2-(4-benzyl-1-oxophthalazin-2-yl)-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzyl-1-oxophthalazin-2-yl)-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-benzyl-1-oxophthalazin-2-yl)-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCNC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 2-(4-benzyl-1-oxophthalazin-2-yl)-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is HFXBMMGDSDQFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-3-26(4-2)15-14-24-22(28)17-27-23(29)20-13-9-8-12-19(20)21(25-27)16-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3,(H,24,28).
What are the key properties of 2-(4-benzyl-1-oxophthalazin-2-yl)-N-[2-(diethylamino)ethyl]acetamide?
2-(4-benzyl-1-oxophthalazin-2-yl)-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-1-oxophthalazin-2-yl)-N-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 2288386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).