N-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

C22H23N3O2 — CID 50976165

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESC=C(C)CN(CC)C(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C22H23N3O2/c1-4-24(14-16(2)3)20(26)15-25-22(27)19-13-9-8-12-18(19)21(23-25)17-10-6-5-7-11-17/h5-13H,2,4,14-15H2,1,3H3
InChIKeyOXPXPIZEBAJOTG-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.49
Rot. Bonds6

About N-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

N-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (PubChem CID 50976165) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
PubChem CID50976165
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESC=C(C)CN(CC)C(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C22H23N3O2/c1-4-24(14-16(2)3)20(26)15-25-22(27)19-13-9-8-12-18(19)21(23-25)17-10-6-5-7-11-17/h5-13H,2,4,14-15H2,1,3H3
InChIKeyOXPXPIZEBAJOTG-UHFFFAOYSA-N
XLogP3.49
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (CID 50976165) is N-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is C=C(C)CN(CC)C(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The InChIKey is OXPXPIZEBAJOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-24(14-16(2)3)20(26)15-25-22(27)19-13-9-8-12-18(19)21(23-25)17-10-6-5-7-11-17/h5-13H,2,4,14-15H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
N-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is sourced from PubChem (CID 50976165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).