N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide

C21H21N3O4 — CID 10959835

IUPACN-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2cccc(Cc3ccc(=O)[nH]n3)c2)c(C)c1
InChIInChI=1S/C21H21N3O4/c1-14-10-17(27-2)7-8-19(14)22-21(26)13-28-18-5-3-4-15(12-18)11-16-6-9-20(25)24-23-16/h3-10,12H,11,13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyVLRSBQMRDJIVKL-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.70
Rot. Bonds7

About N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide

N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide (PubChem CID 10959835) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide
PubChem CID10959835
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2cccc(Cc3ccc(=O)[nH]n3)c2)c(C)c1
InChIInChI=1S/C21H21N3O4/c1-14-10-17(27-2)7-8-19(14)22-21(26)13-28-18-5-3-4-15(12-18)11-16-6-9-20(25)24-23-16/h3-10,12H,11,13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyVLRSBQMRDJIVKL-UHFFFAOYSA-N
XLogP2.70
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 10938305
3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one
CID 10926721
2-(3-methoxyphenyl)-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 71804998
2-(3-ethylphenoxy)-N-[4-[4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 43912216
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N-(4,5-dimethoxy-2-methylphenyl)-2-(3-ethylphenoxy)acetamide
CID 7751005
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
2-(3,4-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977913
2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid
CID 119231617
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
4-[[2-(3-methoxyphenyl)acetyl]amino]-N,3-dimethylbenzamide
CID 46465025
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide (CID 10959835) is N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide is COc1ccc(NC(=O)COc2cccc(Cc3ccc(=O)[nH]n3)c2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide?
The InChIKey is VLRSBQMRDJIVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-10-17(27-2)7-8-19(14)22-21(26)13-28-18-5-3-4-15(12-18)11-16-6-9-20(25)24-23-16/h3-10,12H,11,13H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide?
N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide is sourced from PubChem (CID 10959835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).