N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide

C25H27N3O3 — CID 46263020

IUPACN-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
SMILESCOc1cccc(NC(=O)C(C)n2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)c1
InChIInChI=1S/C25H27N3O3/c1-16-11-13-18(14-12-16)23-21-9-4-5-10-22(21)25(30)28(27-23)17(2)24(29)26-19-7-6-8-20(15-19)31-3/h6-8,11-15,17H,4-5,9-10H2,1-3H3,(H,26,29)
InChIKeyJDCUMLIEHJCKFM-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.31
Rot. Bonds5

About N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide

N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide (PubChem CID 46263020) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
PubChem CID46263020
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
SMILESCOc1cccc(NC(=O)C(C)n2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)c1
InChIInChI=1S/C25H27N3O3/c1-16-11-13-18(14-12-16)23-21-9-4-5-10-22(21)25(30)28(27-23)17(2)24(29)26-19-7-6-8-20(15-19)31-3/h6-8,11-15,17H,4-5,9-10H2,1-3H3,(H,26,29)
InChIKeyJDCUMLIEHJCKFM-UHFFFAOYSA-N
XLogP4.31
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 40640857
(2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide
CID 92735359
(2S)-N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]butanamide
CID 28622867
(2S)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 28622973
(2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 40640849
N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
CID 23608913
N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
CID 50752081
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623082
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]butanamide
CID 28623021
(2R)-N-(3-methoxyphenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 8593450
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 679819
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2942646

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide (CID 46263020) is N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide is COc1cccc(NC(=O)C(C)n2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide?
The InChIKey is JDCUMLIEHJCKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-16-11-13-18(14-12-16)23-21-9-4-5-10-22(21)25(30)28(27-23)17(2)24(29)26-19-7-6-8-20(15-19)31-3/h6-8,11-15,17H,4-5,9-10H2,1-3H3,(H,26,29).
What are the key properties of N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide?
N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide has a molecular weight of 417.51 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide is sourced from PubChem (CID 46263020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).