N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide

C20H22N2O3 — CID 22734076

IUPACN-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCCNCc1ccc(OC)c2oc(C(=O)NCc3ccccc3)cc12
InChIInChI=1S/C20H22N2O3/c1-3-21-13-15-9-10-17(24-2)19-16(15)11-18(25-19)20(23)22-12-14-7-5-4-6-8-14/h4-11,21H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyIEOFFKAKYOOISK-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.48
Rot. Bonds7

About N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide

N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 22734076) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID22734076
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCCNCc1ccc(OC)c2oc(C(=O)NCc3ccccc3)cc12
InChIInChI=1S/C20H22N2O3/c1-3-21-13-15-9-10-17(24-2)19-16(15)11-18(25-19)20(23)22-12-14-7-5-4-6-8-14/h4-11,21H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyIEOFFKAKYOOISK-UHFFFAOYSA-N
XLogP3.48
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734211
N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734314
N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 22734198
7-methoxy-N-phenyl-4-(propylaminomethyl)-1-benzofuran-2-carboxamide
CID 22734138
4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
CID 22734145
7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 22733888
[4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 22734467
7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734310
N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 51129427
4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 22733985
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17052977
4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
CID 22733941

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide (CID 22734076) is N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide is CCNCc1ccc(OC)c2oc(C(=O)NCc3ccccc3)cc12.
What is the InChIKey of N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is IEOFFKAKYOOISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-21-13-15-9-10-17(24-2)19-16(15)11-18(25-19)20(23)22-12-14-7-5-4-6-8-14/h4-11,21H,3,12-13H2,1-2H3,(H,22,23).
What are the key properties of N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide?
N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22734076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).