N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C29H29N3O3 — CID 121050455

IUPACN-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCOc1ccc(-c2ccc(=O)n(CC(=O)NCCC(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C29H29N3O3/c1-2-35-25-15-13-24(14-16-25)27-17-18-29(34)32(31-27)21-28(33)30-20-19-26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-18,26H,2,19-21H2,1H3,(H,30,33)
InChIKeyCYBFTEKEHBDTER-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.65
Rot. Bonds10

About N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121050455) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121050455
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC NameN-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCOc1ccc(-c2ccc(=O)n(CC(=O)NCCC(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C29H29N3O3/c1-2-35-25-15-13-24(14-16-25)27-17-18-29(34)32(31-27)21-28(33)30-20-19-26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-18,26H,2,19-21H2,1H3,(H,30,33)
InChIKeyCYBFTEKEHBDTER-UHFFFAOYSA-N
XLogP4.65
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050431
N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052709
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517415
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050805
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 121033720
2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121050563
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051815
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052463
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019
3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
CID 51366097

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 121050455) is N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide is CCOc1ccc(-c2ccc(=O)n(CC(=O)NCCC(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is CYBFTEKEHBDTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-2-35-25-15-13-24(14-16-25)27-17-18-29(34)32(31-27)21-28(33)30-20-19-26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-18,26H,2,19-21H2,1H3,(H,30,33).
What are the key properties of N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 467.57 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121050455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).