(2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide

C25H27N3O2 — CID 92735359

IUPAC(2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide
SMILESCc1ccc(C)c(-c2nn([C@H](C)C(=O)Nc3ccccc3)c(=O)c3c2CCCC3)c1
InChIInChI=1S/C25H27N3O2/c1-16-13-14-17(2)22(15-16)23-20-11-7-8-12-21(20)25(30)28(27-23)18(3)24(29)26-19-9-5-4-6-10-19/h4-6,9-10,13-15,18H,7-8,11-12H2,1-3H3,(H,26,29)/t18-/m1/s1
InChIKeyIMWKPTCDCGOJEF-GOSISDBHSA-N
MW401.51 g/mol
LogP4.61
Rot. Bonds4

About (2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide

(2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide (PubChem CID 92735359) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is (2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide
PubChem CID92735359
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name(2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide
SMILESCc1ccc(C)c(-c2nn([C@H](C)C(=O)Nc3ccccc3)c(=O)c3c2CCCC3)c1
InChIInChI=1S/C25H27N3O2/c1-16-13-14-17(2)22(15-16)23-20-11-7-8-12-21(20)25(30)28(27-23)18(3)24(29)26-19-9-5-4-6-10-19/h4-6,9-10,13-15,18H,7-8,11-12H2,1-3H3,(H,26,29)/t18-/m1/s1
InChIKeyIMWKPTCDCGOJEF-GOSISDBHSA-N
XLogP4.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
CID 23608913
(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-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
CID 46263020
(2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 40640857
N-(2-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 46262991
N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
CID 50752081
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
(2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide
CID 28622922
(2R)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 28623322
(2S)-N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]butanamide
CID 28622867
methyl 4-[2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanoylamino]benzoate
CID 25249803

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide?
The IUPAC name of (2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide (CID 92735359) is (2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide is Cc1ccc(C)c(-c2nn([C@H](C)C(=O)Nc3ccccc3)c(=O)c3c2CCCC3)c1.
What is the InChIKey of (2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide?
The InChIKey is IMWKPTCDCGOJEF-GOSISDBHSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-16-13-14-17(2)22(15-16)23-20-11-7-8-12-21(20)25(30)28(27-23)18(3)24(29)26-19-9-5-4-6-10-19/h4-6,9-10,13-15,18H,7-8,11-12H2,1-3H3,(H,26,29)/t18-/m1/s1.
What are the key properties of (2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide?
(2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide has a molecular weight of 401.51 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-phenylpropanamide is sourced from PubChem (CID 92735359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).