N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C25H23N3O2 — CID 17406582

IUPACN-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCC(CNC(=O)Cc1n[nH]c(=O)c2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-25(18-10-4-2-5-11-18,19-12-6-3-7-13-19)17-26-23(29)16-22-20-14-8-9-15-21(20)24(30)28-27-22/h2-15H,16-17H2,1H3,(H,26,29)(H,28,30)
InChIKeyWHJKCNFJHFNVOA-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.59
Rot. Bonds6

About N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 17406582) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID17406582
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCC(CNC(=O)Cc1n[nH]c(=O)c2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-25(18-10-4-2-5-11-18,19-12-6-3-7-13-19)17-26-23(29)16-22-20-14-8-9-15-21(20)24(30)28-27-22/h2-15H,16-17H2,1H3,(H,26,29)(H,28,30)
InChIKeyWHJKCNFJHFNVOA-UHFFFAOYSA-N
XLogP3.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 34078536
N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 171679416
2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 41288243
N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide
CID 171138517
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166429063
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 27770013
1-(2,2-dimethylpropyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749124
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 17406582) is N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is CC(CNC(=O)Cc1n[nH]c(=O)c2ccccc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is WHJKCNFJHFNVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-25(18-10-4-2-5-11-18,19-12-6-3-7-13-19)17-26-23(29)16-22-20-14-8-9-15-21(20)24(30)28-27-22/h2-15H,16-17H2,1H3,(H,26,29)(H,28,30).
What are the key properties of N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 17406582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).