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

C25H31N3O4 — CID 22733888

IUPAC7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNCCN2CCOCC2)c2cc(C(=O)NCCc3ccccc3)oc12
InChIInChI=1S/C25H31N3O4/c1-30-22-8-7-20(18-26-11-12-28-13-15-31-16-14-28)21-17-23(32-24(21)22)25(29)27-10-9-19-5-3-2-4-6-19/h2-8,17,26H,9-16,18H2,1H3,(H,27,29)
InChIKeyGFMSEDKKWUKHJW-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.84
Rot. Bonds10

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

7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide (PubChem CID 22733888) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
PubChem CID22733888
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNCCN2CCOCC2)c2cc(C(=O)NCCc3ccccc3)oc12
InChIInChI=1S/C25H31N3O4/c1-30-22-8-7-20(18-26-11-12-28-13-15-31-16-14-28)21-17-23(32-24(21)22)25(29)27-10-9-19-5-3-2-4-6-19/h2-8,17,26H,9-16,18H2,1H3,(H,27,29)
InChIKeyGFMSEDKKWUKHJW-UHFFFAOYSA-N
XLogP2.84
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
[4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 22734467
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
4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
CID 22734145
N-[(2-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994758
N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 22734198
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
4-methyl-N-(2-morpholin-4-ylethyl)furo[3,2-c]quinoline-2-carboxamide
CID 20868544
N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053127
1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217074
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973605

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide (CID 22733888) is 7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide is COc1ccc(CNCCN2CCOCC2)c2cc(C(=O)NCCc3ccccc3)oc12.
What is the InChIKey of 7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is GFMSEDKKWUKHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-30-22-8-7-20(18-26-11-12-28-13-15-31-16-14-28)21-17-23(32-24(21)22)25(29)27-10-9-19-5-3-2-4-6-19/h2-8,17,26H,9-16,18H2,1H3,(H,27,29).
What are the key properties of 7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22733888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).