N-(oxolan-2-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

C21H21N3O3 — CID 661211

IUPACN-(oxolan-2-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCC1CCCO1
InChIInChI=1S/C21H21N3O3/c25-19(22-13-16-9-6-12-27-16)14-24-21(26)18-11-5-4-10-17(18)20(23-24)15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,22,25)
InChIKeyUMKVQFUFCYWUQL-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.36
Rot. Bonds5

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

N-(oxolan-2-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (PubChem CID 661211) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
PubChem CID661211
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(oxolan-2-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCC1CCCO1
InChIInChI=1S/C21H21N3O3/c25-19(22-13-16-9-6-12-27-16)14-24-21(26)18-11-5-4-10-17(18)20(23-24)15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,22,25)
InChIKeyUMKVQFUFCYWUQL-UHFFFAOYSA-N
XLogP2.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-Fluoro-3-{[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25133978
N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 714735
N-(2-hydroxyethyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1957894
N-morpholin-4-yl-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
CID 3473975
N-Benzyl-2-(4-methyl-1-oxo-1H-phthalazin-2-yl)-acetamide
CID 589822
2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-(1-phenylethyl)acetamide
CID 661228
Ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate
CID 697435
3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 971523
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 2937149
2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1-phenylethyl)acetamide
CID 2937233
3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide
CID 2957695
ethyl [4-(4-methylphenyl)-1-oxophthalazin-2(1H)-yl]acetate
CID 723947

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (CID 661211) is N-(oxolan-2-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The InChIKey is UMKVQFUFCYWUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-19(22-13-16-9-6-12-27-16)14-24-21(26)18-11-5-4-10-17(18)20(23-24)15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,22,25).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
N-(oxolan-2-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is sourced from PubChem (CID 661211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).