N-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C21H23N3O2 — CID 2187447

IUPACN-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCCCCc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C21H23N3O2/c1-3-4-7-15-10-12-16(13-11-15)22-20(25)14-19-17-8-5-6-9-18(17)21(26)24(2)23-19/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,22,25)
InChIKeyNPAHKNWKSJOLSY-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.46
Rot. Bonds6

About N-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 2187447) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID2187447
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCCCCc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C21H23N3O2/c1-3-4-7-15-10-12-16(13-11-15)22-20(25)14-19-17-8-5-6-9-18(17)21(26)24(2)23-19/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,22,25)
InChIKeyNPAHKNWKSJOLSY-UHFFFAOYSA-N
XLogP3.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 2187447) is N-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is CCCCc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is NPAHKNWKSJOLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-4-7-15-10-12-16(13-11-15)22-20(25)14-19-17-8-5-6-9-18(17)21(26)24(2)23-19/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,22,25).
What are the key properties of N-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 2187447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).