5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide

C24H22N2O4 — CID 55839775

IUPAC5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)NCc3ccc(OCc4cccnc4)cc3)c2c1
InChIInChI=1S/C24H22N2O4/c1-16-23(21-12-20(28-2)9-10-22(21)30-16)24(27)26-14-17-5-7-19(8-6-17)29-15-18-4-3-11-25-13-18/h3-13H,14-15H2,1-2H3,(H,26,27)
InChIKeyCDIUUJHDMDINJW-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.65
Rot. Bonds7

About 5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide

5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide (PubChem CID 55839775) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide
PubChem CID55839775
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)NCc3ccc(OCc4cccnc4)cc3)c2c1
InChIInChI=1S/C24H22N2O4/c1-16-23(21-12-20(28-2)9-10-22(21)30-16)24(27)26-14-17-5-7-19(8-6-17)29-15-18-4-3-11-25-13-18/h3-13H,14-15H2,1-2H3,(H,26,27)
InChIKeyCDIUUJHDMDINJW-UHFFFAOYSA-N
XLogP4.65
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
N-[[4-(carbamoylamino)phenyl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55910440
5-(methoxymethyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78876213
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525181
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683
5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 87017070
N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065486
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42595551
4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 86990543
5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide
CID 55789548

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide (CID 55839775) is 5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide is COc1ccc2oc(C)c(C(=O)NCc3ccc(OCc4cccnc4)cc3)c2c1.
What is the InChIKey of 5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide?
The InChIKey is CDIUUJHDMDINJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-16-23(21-12-20(28-2)9-10-22(21)30-16)24(27)26-14-17-5-7-19(8-6-17)29-15-18-4-3-11-25-13-18/h3-13H,14-15H2,1-2H3,(H,26,27).
What are the key properties of 5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide?
5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 55839775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).