4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide

C21H24N2O3 — CID 22734145

IUPAC4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
SMILESCCCCNCc1ccc(OC)c2oc(C(=O)Nc3ccccc3)cc12
InChIInChI=1S/C21H24N2O3/c1-3-4-12-22-14-15-10-11-18(25-2)20-17(15)13-19(26-20)21(24)23-16-8-6-5-7-9-16/h5-11,13,22H,3-4,12,14H2,1-2H3,(H,23,24)
InChIKeyQWIITSCSHPAAAL-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.58
Rot. Bonds8

About 4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide

4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide (PubChem CID 22734145) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
PubChem CID22734145
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
SMILESCCCCNCc1ccc(OC)c2oc(C(=O)Nc3ccccc3)cc12
InChIInChI=1S/C21H24N2O3/c1-3-4-12-22-14-15-10-11-18(25-2)20-17(15)13-19(26-20)21(24)23-16-8-6-5-7-9-16/h5-11,13,22H,3-4,12,14H2,1-2H3,(H,23,24)
InChIKeyQWIITSCSHPAAAL-UHFFFAOYSA-N
XLogP4.58
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-N-phenyl-4-(propylaminomethyl)-1-benzofuran-2-carboxamide
CID 22734138
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
4-formyl-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
CID 22733941
7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide
CID 22733923
N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734314
7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 22733888
7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734310
[4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 22734467
N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 22734198
4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 22733985
7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 92643170

Frequently Asked Questions

What is the IUPAC name of 4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide?
The IUPAC name of 4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide (CID 22734145) is 4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide is CCCCNCc1ccc(OC)c2oc(C(=O)Nc3ccccc3)cc12.
What is the InChIKey of 4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide?
The InChIKey is QWIITSCSHPAAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-4-12-22-14-15-10-11-18(25-2)20-17(15)13-19(26-20)21(24)23-16-8-6-5-7-9-16/h5-11,13,22H,3-4,12,14H2,1-2H3,(H,23,24).
What are the key properties of 4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide?
4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22734145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).