N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide

C26H24N2O4 — CID 55800755

IUPACN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)CCc3ccc(-c4ccccc4)o3)cn2)c1
InChIInChI=1S/C26H24N2O4/c1-30-22-8-5-9-23(16-22)32-26-15-10-19(18-28-26)17-27-25(29)14-12-21-11-13-24(31-21)20-6-3-2-4-7-20/h2-11,13,15-16,18H,12,14,17H2,1H3,(H,27,29)
InChIKeyUKMBAUACUDWWQY-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.39
Rot. Bonds9

About N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 55800755) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide
PubChem CID55800755
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)CCc3ccc(-c4ccccc4)o3)cn2)c1
InChIInChI=1S/C26H24N2O4/c1-30-22-8-5-9-23(16-22)32-26-15-10-19(18-28-26)17-27-25(29)14-12-21-11-13-24(31-21)20-6-3-2-4-7-20/h2-11,13,15-16,18H,12,14,17H2,1H3,(H,27,29)
InChIKeyUKMBAUACUDWWQY-UHFFFAOYSA-N
XLogP5.39
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide
CID 55744510
3-(5-phenylfuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483404
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 55800859
4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
CID 55858632
N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 55857997
3-(5-phenylfuran-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propanamide
CID 46481923
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 46466736
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 55858122
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134454
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119847596
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 55800950
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dimethylguanidine
CID 110916201

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide (CID 55800755) is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide is COc1cccc(Oc2ccc(CNC(=O)CCc3ccc(-c4ccccc4)o3)cn2)c1.
What is the InChIKey of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is UKMBAUACUDWWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-30-22-8-5-9-23(16-22)32-26-15-10-19(18-28-26)17-27-25(29)14-12-21-11-13-24(31-21)20-6-3-2-4-7-20/h2-11,13,15-16,18H,12,14,17H2,1H3,(H,27,29).
What are the key properties of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide?
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 428.49 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 55800755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).