ethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate

C18H25N3O4 — CID 166460082

IUPACethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate
SMILESCC.COC(=O)CCNc1ccc(OCc2ccc(OC)cc2)nn1
InChIInChI=1S/C16H19N3O4.C2H6/c1-21-13-5-3-12(4-6-13)11-23-15-8-7-14(18-19-15)17-10-9-16(20)22-2;1-2/h3-8H,9-11H2,1-2H3,(H,17,18);1-2H3
InChIKeyDJAMPVZTJQBOBV-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.07
Rot. Bonds8

About ethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate

ethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate (PubChem CID 166460082) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is ethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate.

Molecular Properties

Compound Nameethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate
PubChem CID166460082
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nameethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate
SMILESCC.COC(=O)CCNc1ccc(OCc2ccc(OC)cc2)nn1
InChIInChI=1S/C16H19N3O4.C2H6/c1-21-13-5-3-12(4-6-13)11-23-15-8-7-14(18-19-15)17-10-9-16(20)22-2;1-2/h3-8H,9-11H2,1-2H3,(H,17,18);1-2H3
InChIKeyDJAMPVZTJQBOBV-UHFFFAOYSA-N
XLogP3.07
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate with MolForge

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Related Compounds

[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]methanol
CID 61257374
methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate
CID 63591109
2-(4-methoxyphenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037821
6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60791797
N-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine
CID 62291863
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042762
methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate
CID 113044195
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945
2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide
CID 113039555
methyl 3-[[4-[(4-tert-butylphenoxy)methyl]benzoyl]amino]propanoate
CID 40655214
6-[(4-methoxyphenyl)methoxy]-N-methylpyridin-2-amine
CID 80865107
1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea
CID 113042810

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate?
The IUPAC name of ethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate (CID 166460082) is ethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate.
What is the SMILES notation for ethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate?
The canonical SMILES for ethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate is CC.COC(=O)CCNc1ccc(OCc2ccc(OC)cc2)nn1.
What is the InChIKey of ethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate?
The InChIKey is DJAMPVZTJQBOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4.C2H6/c1-21-13-5-3-12(4-6-13)11-23-15-8-7-14(18-19-15)17-10-9-16(20)22-2;1-2/h3-8H,9-11H2,1-2H3,(H,17,18);1-2H3.
What are the key properties of ethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate?
ethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate has a molecular weight of 347.42 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]amino]propanoate is sourced from PubChem (CID 166460082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).