(2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide

C24H25N3O3 — CID 92735357

IUPAC(2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc1
InChIInChI=1S/C24H25N3O3/c1-16(23(28)25-18-12-14-19(30-2)15-13-18)27-24(29)21-11-7-6-10-20(21)22(26-27)17-8-4-3-5-9-17/h3-5,8-9,12-16H,6-7,10-11H2,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyQCBLOHBSAPQAQV-INIZCTEOSA-N
MW403.48 g/mol
LogP4.00
Rot. Bonds5

About (2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide

(2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide (PubChem CID 92735357) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
PubChem CID92735357
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc1
InChIInChI=1S/C24H25N3O3/c1-16(23(28)25-18-12-14-19(30-2)15-13-18)27-24(29)21-11-7-6-10-20(21)22(26-27)17-8-4-3-5-9-17/h3-5,8-9,12-16H,6-7,10-11H2,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyQCBLOHBSAPQAQV-INIZCTEOSA-N
XLogP4.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide (CID 92735357) is (2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide is COc1ccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide?
The InChIKey is QCBLOHBSAPQAQV-INIZCTEOSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16(23(28)25-18-12-14-19(30-2)15-13-18)27-24(29)21-11-7-6-10-20(21)22(26-27)17-8-4-3-5-9-17/h3-5,8-9,12-16H,6-7,10-11H2,1-2H3,(H,25,28)/t16-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide?
(2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide has a molecular weight of 403.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide is sourced from PubChem (CID 92735357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).