N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C25H27N3O4 — CID 56761223

IUPACN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCOc1ccc(C2(CNC(=O)Cn3nc(-c4ccccc4)ccc3=O)CCOCC2)cc1
InChIInChI=1S/C25H27N3O4/c1-31-21-9-7-20(8-10-21)25(13-15-32-16-14-25)18-26-23(29)17-28-24(30)12-11-22(27-28)19-5-3-2-4-6-19/h2-12H,13-18H2,1H3,(H,26,29)
InChIKeyBFCMXSYMDLTBPH-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.78
Rot. Bonds7

About N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 56761223) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID56761223
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCOc1ccc(C2(CNC(=O)Cn3nc(-c4ccccc4)ccc3=O)CCOCC2)cc1
InChIInChI=1S/C25H27N3O4/c1-31-21-9-7-20(8-10-21)25(13-15-32-16-14-25)18-26-23(29)17-28-24(30)12-11-22(27-28)19-5-3-2-4-6-19/h2-12H,13-18H2,1H3,(H,26,29)
InChIKeyBFCMXSYMDLTBPH-UHFFFAOYSA-N
XLogP2.78
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 75366540
N-(1,4-dioxan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 24981337
N-(2-morpholin-4-ylethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053341
N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 7647050
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915
3-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylpropanamide
CID 119749994
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea
CID 55794290
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60578416
N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050345
(2R)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 96564277
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050625

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 56761223) is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is COc1ccc(C2(CNC(=O)Cn3nc(-c4ccccc4)ccc3=O)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is BFCMXSYMDLTBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-31-21-9-7-20(8-10-21)25(13-15-32-16-14-25)18-26-23(29)17-28-24(30)12-11-22(27-28)19-5-3-2-4-6-19/h2-12H,13-18H2,1H3,(H,26,29).
What are the key properties of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 433.51 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 56761223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).