7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide

C27H28N2O3 — CID 22734211

IUPAC7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNCCc2ccccc2)c2cc(C(=O)NCCc3ccccc3)oc12
InChIInChI=1S/C27H28N2O3/c1-31-24-13-12-22(19-28-16-14-20-8-4-2-5-9-20)23-18-25(32-26(23)24)27(30)29-17-15-21-10-6-3-7-11-21/h2-13,18,28H,14-17,19H2,1H3,(H,29,30)
InChIKeyNBTOXPJAIRINPJ-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.75
Rot. Bonds10

About 7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide

7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide (PubChem CID 22734211) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
PubChem CID22734211
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNCCc2ccccc2)c2cc(C(=O)NCCc3ccccc3)oc12
InChIInChI=1S/C27H28N2O3/c1-31-24-13-12-22(19-28-16-14-20-8-4-2-5-9-20)23-18-25(32-26(23)24)27(30)29-17-15-21-10-6-3-7-11-21/h2-13,18,28H,14-17,19H2,1H3,(H,29,30)
InChIKeyNBTOXPJAIRINPJ-UHFFFAOYSA-N
XLogP4.75
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.75
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-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 22733888
N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 22734076
N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734314
7-methoxy-N-phenyl-4-(propylaminomethyl)-1-benzofuran-2-carboxamide
CID 22734138
4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
CID 22734145
N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 22734198
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
2-(2,4-dimethoxy-3-methylphenyl)-N-(2-phenylethyl)acetamide
CID 110769821
2-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 110767149
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide (CID 22734211) is 7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide is COc1ccc(CNCCc2ccccc2)c2cc(C(=O)NCCc3ccccc3)oc12.
What is the InChIKey of 7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is NBTOXPJAIRINPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-31-24-13-12-22(19-28-16-14-20-8-4-2-5-9-20)23-18-25(32-26(23)24)27(30)29-17-15-21-10-6-3-7-11-21/h2-13,18,28H,14-17,19H2,1H3,(H,29,30).
What are the key properties of 7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 4.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22734211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).