2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide

C19H21ClN4O4 — CID 24581607

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide
SMILESCc1n[nH]c(=O)c2c(NC(=O)CN(C)CCOc3ccc(Cl)cc3)oc(C)c12
InChIInChI=1S/C19H21ClN4O4/c1-11-16-12(2)28-19(17(16)18(26)23-22-11)21-15(25)10-24(3)8-9-27-14-6-4-13(20)5-7-14/h4-7H,8-10H2,1-3H3,(H,21,25)(H,23,26)
InChIKeyRXSMMGNDBPGILI-UHFFFAOYSA-N
MW404.85 g/mol
LogP2.74
Rot. Bonds7

About 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide (PubChem CID 24581607) has the molecular formula C19H21ClN4O4 and a molecular weight of 404.85 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide
PubChem CID24581607
Molecular FormulaC19H21ClN4O4
Molecular Weight404.85 g/mol
Exact Mass404.13
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide
SMILESCc1n[nH]c(=O)c2c(NC(=O)CN(C)CCOc3ccc(Cl)cc3)oc(C)c12
InChIInChI=1S/C19H21ClN4O4/c1-11-16-12(2)28-19(17(16)18(26)23-22-11)21-15(25)10-24(3)8-9-27-14-6-4-13(20)5-7-14/h4-7H,8-10H2,1-3H3,(H,21,25)(H,23,26)
InChIKeyRXSMMGNDBPGILI-UHFFFAOYSA-N
XLogP2.74
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2,5-difluorophenyl)acetamide
CID 4824878
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18166272
4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422
methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 27250238
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9252381
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide
CID 4824875
methyl 2-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 9252455
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9252437
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-chlorophenoxy)ethyl-methylamino]acetamide
CID 24566477
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 124737979
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 46801872
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17448221

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide (CID 24581607) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide is Cc1n[nH]c(=O)c2c(NC(=O)CN(C)CCOc3ccc(Cl)cc3)oc(C)c12.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide?
The InChIKey is RXSMMGNDBPGILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4/c1-11-16-12(2)28-19(17(16)18(26)23-22-11)21-15(25)10-24(3)8-9-27-14-6-4-13(20)5-7-14/h4-7H,8-10H2,1-3H3,(H,21,25)(H,23,26).
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide?
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide has a molecular weight of 404.85 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide is sourced from PubChem (CID 24581607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).