N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide

C25H25N3O3 — CID 22734314

IUPACN-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNCCc2ccccn2)c2cc(C(=O)NCc3ccccc3)oc12
InChIInChI=1S/C25H25N3O3/c1-30-22-11-10-19(17-26-14-12-20-9-5-6-13-27-20)21-15-23(31-24(21)22)25(29)28-16-18-7-3-2-4-8-18/h2-11,13,15,26H,12,14,16-17H2,1H3,(H,28,29)
InChIKeyLYOGDTINZLTOIY-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.10
Rot. Bonds9

About N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide

N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide (PubChem CID 22734314) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide
PubChem CID22734314
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNCCc2ccccn2)c2cc(C(=O)NCc3ccccc3)oc12
InChIInChI=1S/C25H25N3O3/c1-30-22-11-10-19(17-26-14-12-20-9-5-6-13-27-20)21-15-23(31-24(21)22)25(29)28-16-18-7-3-2-4-8-18/h2-11,13,15,26H,12,14,16-17H2,1H3,(H,28,29)
InChIKeyLYOGDTINZLTOIY-UHFFFAOYSA-N
XLogP4.10
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734211
N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 22734076
N-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine
CID 11164244
N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 22734198
7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 22733888
7-methoxy-N-phenyl-4-(propylaminomethyl)-1-benzofuran-2-carboxamide
CID 22734138
4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
CID 22734145
4-methyl-N-(pyridin-2-ylmethyl)furo[3,2-c]quinoline-2-carboxamide
CID 3237079
[4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 22734467
4-methoxy-N-(2-pyridin-2-ylethyl)quinoline-2-carboxamide
CID 54723542
7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734310
N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide (CID 22734314) is N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide is COc1ccc(CNCCc2ccccn2)c2cc(C(=O)NCc3ccccc3)oc12.
What is the InChIKey of N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is LYOGDTINZLTOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-30-22-11-10-19(17-26-14-12-20-9-5-6-13-27-20)21-15-23(31-24(21)22)25(29)28-16-18-7-3-2-4-8-18/h2-11,13,15,26H,12,14,16-17H2,1H3,(H,28,29).
What are the key properties of N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide?
N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22734314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).