methyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate

C20H24N4O5 — CID 155526910

IUPACmethyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1
InChIInChI=1S/C20H24N4O5/c1-14(2)24(12-18(25)23-16-8-9-21-22-11-16)19(26)13-29-17-6-4-15(5-7-17)10-20(27)28-3/h4-9,11,14H,10,12-13H2,1-3H3,(H,21,23,25)
InChIKeyBOCRSUDRFBWORI-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.45
Rot. Bonds9

About methyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate

methyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate (PubChem CID 155526910) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is methyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate
PubChem CID155526910
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Namemethyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1
InChIInChI=1S/C20H24N4O5/c1-14(2)24(12-18(25)23-16-8-9-21-22-11-16)19(26)13-29-17-6-4-15(5-7-17)10-20(27)28-3/h4-9,11,14H,10,12-13H2,1-3H3,(H,21,23,25)
InChIKeyBOCRSUDRFBWORI-UHFFFAOYSA-N
XLogP1.45
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate with MolForge

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Related Compounds

2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155517652
2-[[2-(4-ethylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155522148
2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155527377
2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155534328
2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide
CID 155535051
2-[[2-(4-ethoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155542487
2-[[2-(4-pentylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155543581
2-[[2-[4-(2-methylpropyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155564187
2-[[2-(4-butylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155566562
(2S)-2-[[2-[4-(2-methylpyrazol-3-yl)phenoxy]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 177644893
N-cyclohexyl-2-(3-fluoro-N-(2-pyridazin-3-yloxyacetyl)anilino)-2-phenylacetamide
CID 144316579
4-(4-fluorophenyl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]butanamide
CID 166148017

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate (CID 155526910) is methyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate is COC(=O)Cc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1.
What is the InChIKey of methyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate?
The InChIKey is BOCRSUDRFBWORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-14(2)24(12-18(25)23-16-8-9-21-22-11-16)19(26)13-29-17-6-4-15(5-7-17)10-20(27)28-3/h4-9,11,14H,10,12-13H2,1-3H3,(H,21,23,25).
What are the key properties of methyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate?
methyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate has a molecular weight of 400.44 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate is sourced from PubChem (CID 155526910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).