2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide

C21H21N3O4 — CID 43991201

IUPAC2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc(-c3ccc(OC)nn3)cc2)cc1
InChIInChI=1S/C21H21N3O4/c1-14(28-18-10-8-17(26-2)9-11-18)21(25)22-16-6-4-15(5-7-16)19-12-13-20(27-3)24-23-19/h4-14H,1-3H3,(H,22,25)
InChIKeyCFCUNYMCAZIIMX-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.57
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide

2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide (PubChem CID 43991201) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide
PubChem CID43991201
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc(-c3ccc(OC)nn3)cc2)cc1
InChIInChI=1S/C21H21N3O4/c1-14(28-18-10-8-17(26-2)9-11-18)21(25)22-16-6-4-15(5-7-16)19-12-13-20(27-3)24-23-19/h4-14H,1-3H3,(H,22,25)
InChIKeyCFCUNYMCAZIIMX-UHFFFAOYSA-N
XLogP3.57
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluorophenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide
CID 43991214
2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43992664
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2952531
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
(2R)-N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086645
4-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 2952411
2-(4-methoxyphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17171857
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
CID 719424

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide (CID 43991201) is 2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide is COc1ccc(OC(C)C(=O)Nc2ccc(-c3ccc(OC)nn3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide?
The InChIKey is CFCUNYMCAZIIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14(28-18-10-8-17(26-2)9-11-18)21(25)22-16-6-4-15(5-7-16)19-12-13-20(27-3)24-23-19/h4-14H,1-3H3,(H,22,25).
What are the key properties of 2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide?
2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide has a molecular weight of 379.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 43991201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).