N-(2-morpholin-4-ylethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

C22H24N4O3 — CID 661904

IUPACN-(2-morpholin-4-ylethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCCN1CCOCC1
InChIInChI=1S/C22H24N4O3/c27-20(23-10-11-25-12-14-29-15-13-25)16-26-22(28)19-9-5-4-8-18(19)21(24-26)17-6-2-1-3-7-17/h1-9H,10-16H2,(H,23,27)
InChIKeyJLRASSRNNKDUGR-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.51
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

N-(2-morpholin-4-ylethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (PubChem CID 661904) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
PubChem CID661904
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCCN1CCOCC1
InChIInChI=1S/C22H24N4O3/c27-20(23-10-11-25-12-14-29-15-13-25)16-26-22(28)19-9-5-4-8-18(19)21(24-26)17-6-2-1-3-7-17/h1-9H,10-16H2,(H,23,27)
InChIKeyJLRASSRNNKDUGR-UHFFFAOYSA-N
XLogP1.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (CID 661904) is N-(2-morpholin-4-ylethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The InChIKey is JLRASSRNNKDUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-20(23-10-11-25-12-14-29-15-13-25)16-26-22(28)19-9-5-4-8-18(19)21(24-26)17-6-2-1-3-7-17/h1-9H,10-16H2,(H,23,27).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
N-(2-morpholin-4-ylethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is sourced from PubChem (CID 661904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).