3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide

C25H23N3O3 — CID 8503400

IUPAC3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C25H23N3O3/c1-2-16-31-22-15-9-8-14-21(22)26-24(29)23-19-12-6-7-13-20(19)25(30)28(27-23)17-18-10-4-3-5-11-18/h3-15H,2,16-17H2,1H3,(H,26,29)
InChIKeyCFTMRYIEQPRUBL-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.49
Rot. Bonds7

About 3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide

3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide (PubChem CID 8503400) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide
PubChem CID8503400
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C25H23N3O3/c1-2-16-31-22-15-9-8-14-21(22)26-24(29)23-19-12-6-7-13-20(19)25(30)28(27-23)17-18-10-4-3-5-11-18/h3-15H,2,16-17H2,1H3,(H,26,29)
InChIKeyCFTMRYIEQPRUBL-UHFFFAOYSA-N
XLogP4.49
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-oxophthalazine-1-carboxamide
CID 55658035
3-benzyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide
CID 46434266
3-benzyl-N-(5-tert-butyl-2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2088516
N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2591019
3-benzyl-N-(2-bromo-4-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 3450675
(2-ethoxyphenyl) 3-benzyl-4-oxophthalazine-1-carboxylate
CID 55331857
3-benzyl-N-(2-methoxydibenzofuran-3-yl)-4-oxophthalazine-1-carboxamide
CID 3948606
3-benzyl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55662834
N-[2-(difluoromethoxy)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 8502691
3-benzyl-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-4-oxophthalazine-1-carboxamide
CID 55948467
3-benzyl-4-oxo-N-[3-oxo-3-(propylamino)propyl]phthalazine-1-carboxamide
CID 55954463
N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7733216

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide?
The IUPAC name of 3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide (CID 8503400) is 3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide is CCCOc1ccccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide?
The InChIKey is CFTMRYIEQPRUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-2-16-31-22-15-9-8-14-21(22)26-24(29)23-19-12-6-7-13-20(19)25(30)28(27-23)17-18-10-4-3-5-11-18/h3-15H,2,16-17H2,1H3,(H,26,29).
What are the key properties of 3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide?
3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-oxo-N-(2-propoxyphenyl)phthalazine-1-carboxamide is sourced from PubChem (CID 8503400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).