N-(2-hydroxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

C18H17N3O3 — CID 2881119

IUPACN-(2-hydroxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCCO
InChIInChI=1S/C18H17N3O3/c22-11-10-19-16(23)12-21-18(24)15-9-5-4-8-14(15)17(20-21)13-6-2-1-3-7-13/h1-9,22H,10-12H2,(H,19,23)
InChIKeyYVOZIUPGBLPQNA-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.17
Rot. Bonds5

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

N-(2-hydroxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (PubChem CID 2881119) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
PubChem CID2881119
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(2-hydroxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCCO
InChIInChI=1S/C18H17N3O3/c22-11-10-19-16(23)12-21-18(24)15-9-5-4-8-14(15)17(20-21)13-6-2-1-3-7-13/h1-9,22H,10-12H2,(H,19,23)
InChIKeyYVOZIUPGBLPQNA-UHFFFAOYSA-N
XLogP1.17
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (CID 2881119) is N-(2-hydroxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The InChIKey is YVOZIUPGBLPQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-11-10-19-16(23)12-21-18(24)15-9-5-4-8-14(15)17(20-21)13-6-2-1-3-7-13/h1-9,22H,10-12H2,(H,19,23).
What are the key properties of N-(2-hydroxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
N-(2-hydroxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is sourced from PubChem (CID 2881119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).