N-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide

C24H22N4O — CID 143961211

IUPACN-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide
SMILESCc1ccc(Nc2nnc(C)c3ccccc23)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H22N4O/c1-16-12-13-19(15-22(16)26-23(29)14-18-8-4-3-5-9-18)25-24-21-11-7-6-10-20(21)17(2)27-28-24/h3-13,15H,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyBMABQNUSUYBPLA-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.17
Rot. Bonds5

About N-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide

N-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide (PubChem CID 143961211) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide
PubChem CID143961211
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide
SMILESCc1ccc(Nc2nnc(C)c3ccccc23)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H22N4O/c1-16-12-13-19(15-22(16)26-23(29)14-18-8-4-3-5-9-18)25-24-21-11-7-6-10-20(21)17(2)27-28-24/h3-13,15H,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyBMABQNUSUYBPLA-UHFFFAOYSA-N
XLogP5.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide?
The IUPAC name of N-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide (CID 143961211) is N-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide is Cc1ccc(Nc2nnc(C)c3ccccc23)cc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide?
The InChIKey is BMABQNUSUYBPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-16-12-13-19(15-22(16)26-23(29)14-18-8-4-3-5-9-18)25-24-21-11-7-6-10-20(21)17(2)27-28-24/h3-13,15H,14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide?
N-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide has a molecular weight of 382.47 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(4-methylphthalazin-1-yl)amino]phenyl]-2-phenylacetamide is sourced from PubChem (CID 143961211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).