4-oxo-N-(1-phenylcyclobutyl)-3-propan-2-ylphthalazine-1-carboxamide

C22H23N3O2 — CID 51111159

IUPAC4-oxo-N-(1-phenylcyclobutyl)-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)NC2(c3ccccc3)CCC2)c2ccccc2c1=O
InChIInChI=1S/C22H23N3O2/c1-15(2)25-21(27)18-12-7-6-11-17(18)19(24-25)20(26)23-22(13-8-14-22)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,23,26)
InChIKeyVEINGBWJAGIIEJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.79
Rot. Bonds4

About 4-oxo-N-(1-phenylcyclobutyl)-3-propan-2-ylphthalazine-1-carboxamide

4-oxo-N-(1-phenylcyclobutyl)-3-propan-2-ylphthalazine-1-carboxamide (PubChem CID 51111159) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-oxo-N-(1-phenylcyclobutyl)-3-propan-2-ylphthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(1-phenylcyclobutyl)-3-propan-2-ylphthalazine-1-carboxamide
PubChem CID51111159
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-oxo-N-(1-phenylcyclobutyl)-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)NC2(c3ccccc3)CCC2)c2ccccc2c1=O
InChIInChI=1S/C22H23N3O2/c1-15(2)25-21(27)18-12-7-6-11-17(18)19(24-25)20(26)23-22(13-8-14-22)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,23,26)
InChIKeyVEINGBWJAGIIEJ-UHFFFAOYSA-N
XLogP3.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(1-phenylcyclobutyl)-3-propan-2-ylphthalazine-1-carboxamide?
The IUPAC name of 4-oxo-N-(1-phenylcyclobutyl)-3-propan-2-ylphthalazine-1-carboxamide (CID 51111159) is 4-oxo-N-(1-phenylcyclobutyl)-3-propan-2-ylphthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-(1-phenylcyclobutyl)-3-propan-2-ylphthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-N-(1-phenylcyclobutyl)-3-propan-2-ylphthalazine-1-carboxamide is CC(C)n1nc(C(=O)NC2(c3ccccc3)CCC2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N-(1-phenylcyclobutyl)-3-propan-2-ylphthalazine-1-carboxamide?
The InChIKey is VEINGBWJAGIIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(2)25-21(27)18-12-7-6-11-17(18)19(24-25)20(26)23-22(13-8-14-22)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,23,26).
What are the key properties of 4-oxo-N-(1-phenylcyclobutyl)-3-propan-2-ylphthalazine-1-carboxamide?
4-oxo-N-(1-phenylcyclobutyl)-3-propan-2-ylphthalazine-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(1-phenylcyclobutyl)-3-propan-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 51111159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).