5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C22H24N2O4 — CID 1091781

IUPAC5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCCCc1ccc(OCc2ccc(C(=O)NCc3cccnc3)o2)c(OC)c1
InChIInChI=1S/C22H24N2O4/c1-3-5-16-7-9-19(21(12-16)26-2)27-15-18-8-10-20(28-18)22(25)24-14-17-6-4-11-23-13-17/h4,6-13H,3,5,14-15H2,1-2H3,(H,24,25)
InChIKeyXROLZSXQXLIELK-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.14
Rot. Bonds9

About 5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 1091781) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID1091781
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCCCc1ccc(OCc2ccc(C(=O)NCc3cccnc3)o2)c(OC)c1
InChIInChI=1S/C22H24N2O4/c1-3-5-16-7-9-19(21(12-16)26-2)27-15-18-8-10-20(28-18)22(25)24-14-17-6-4-11-23-13-17/h4,6-13H,3,5,14-15H2,1-2H3,(H,24,25)
InChIKeyXROLZSXQXLIELK-UHFFFAOYSA-N
XLogP4.14
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 1091781) is 5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is CCCc1ccc(OCc2ccc(C(=O)NCc3cccnc3)o2)c(OC)c1.
What is the InChIKey of 5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is XROLZSXQXLIELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-5-16-7-9-19(21(12-16)26-2)27-15-18-8-10-20(28-18)22(25)24-14-17-6-4-11-23-13-17/h4,6-13H,3,5,14-15H2,1-2H3,(H,24,25).
What are the key properties of 5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-4-propylphenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 1091781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).