4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide

C26H25N3O — CID 67020506

IUPAC4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)NC(C)C)cc1-c1ccc2c(-c3ccccc3C)nncc2c1
InChIInChI=1S/C26H25N3O/c1-16(2)28-26(30)20-10-9-18(4)24(14-20)19-11-12-23-21(13-19)15-27-29-25(23)22-8-6-5-7-17(22)3/h5-16H,1-4H3,(H,28,30)
InChIKeyUHPPHYCCYCCUAH-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.72
Rot. Bonds4

About 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide

4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide (PubChem CID 67020506) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide
PubChem CID67020506
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)NC(C)C)cc1-c1ccc2c(-c3ccccc3C)nncc2c1
InChIInChI=1S/C26H25N3O/c1-16(2)28-26(30)20-10-9-18(4)24(14-20)19-11-12-23-21(13-19)15-27-29-25(23)22-8-6-5-7-17(22)3/h5-16H,1-4H3,(H,28,30)
InChIKeyUHPPHYCCYCCUAH-UHFFFAOYSA-N
XLogP5.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide (CID 67020506) is 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide is Cc1ccc(C(=O)NC(C)C)cc1-c1ccc2c(-c3ccccc3C)nncc2c1.
What is the InChIKey of 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide?
The InChIKey is UHPPHYCCYCCUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-16(2)28-26(30)20-10-9-18(4)24(14-20)19-11-12-23-21(13-19)15-27-29-25(23)22-8-6-5-7-17(22)3/h5-16H,1-4H3,(H,28,30).
What are the key properties of 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide?
4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide has a molecular weight of 395.51 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 67020506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).