2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide

C21H22N4O3 — CID 30754178

IUPAC2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C21H22N4O3/c1-13(2)20(27)23-15-10-8-14(9-11-15)22-19(26)12-18-16-6-4-5-7-17(16)21(28)25(3)24-18/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyPNGVODMXMLEUAQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.71
Rot. Bonds5

About 2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide

2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide (PubChem CID 30754178) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
PubChem CID30754178
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C21H22N4O3/c1-13(2)20(27)23-15-10-8-14(9-11-15)22-19(26)12-18-16-6-4-5-7-17(16)21(28)25(3)24-18/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyPNGVODMXMLEUAQ-UHFFFAOYSA-N
XLogP2.71
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
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CID 17321943
N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71552342
N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17122264
N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide
CID 55796721
N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 16604825
N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71890002
N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 56761805
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301808
N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 55799265
2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide (CID 30754178) is 2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide is CC(C)C(=O)Nc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of 2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide?
The InChIKey is PNGVODMXMLEUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13(2)20(27)23-15-10-8-14(9-11-15)22-19(26)12-18-16-6-4-5-7-17(16)21(28)25(3)24-18/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide?
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide has a molecular weight of 378.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 30754178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).