ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate

C18H21N3O4 — CID 7666096

IUPACethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O
InChIInChI=1S/C18H21N3O4/c1-4-25-18(24)10-19-16(22)11-21-17(23)8-7-15(20-21)14-6-5-12(2)13(3)9-14/h5-9H,4,10-11H2,1-3H3,(H,19,22)
InChIKeyQKRDMXSVMGPVAX-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.21
Rot. Bonds6

About ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate

ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate (PubChem CID 7666096) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
PubChem CID7666096
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Nameethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O
InChIInChI=1S/C18H21N3O4/c1-4-25-18(24)10-19-16(22)11-21-17(23)8-7-15(20-21)14-6-5-12(2)13(3)9-14/h5-9H,4,10-11H2,1-3H3,(H,19,22)
InChIKeyQKRDMXSVMGPVAX-UHFFFAOYSA-N
XLogP1.21
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate with MolForge

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Related Compounds

ethyl 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7662975
ethyl 2-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7664397
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7666195
2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 7666380
2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121050563
2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 7666344
N-(4-bromo-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 46923359
2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121051022
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-ethoxypropyl)acetamide
CID 3224540
methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 51054365
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 46923334
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7660007

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate (CID 7666096) is ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O.
What is the InChIKey of ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate?
The InChIKey is QKRDMXSVMGPVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-4-25-18(24)10-19-16(22)11-21-17(23)8-7-15(20-21)14-6-5-12(2)13(3)9-14/h5-9H,4,10-11H2,1-3H3,(H,19,22).
What are the key properties of ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate?
ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate has a molecular weight of 343.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate is sourced from PubChem (CID 7666096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).