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

C27H28N2O3 — CID 22734310

IUPAC7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC(C)c2ccccc2)c2cc(C(=O)NC(C)c3ccccc3)oc12
InChIInChI=1S/C27H28N2O3/c1-18(20-10-6-4-7-11-20)28-17-22-14-15-24(31-3)26-23(22)16-25(32-26)27(30)29-19(2)21-12-8-5-9-13-21/h4-16,18-19,28H,17H2,1-3H3,(H,29,30)
InChIKeyYEBRPUVGVUWTRD-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.78
Rot. Bonds8

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

7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide (PubChem CID 22734310) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
PubChem CID22734310
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC(C)c2ccccc2)c2cc(C(=O)NC(C)c3ccccc3)oc12
InChIInChI=1S/C27H28N2O3/c1-18(20-10-6-4-7-11-20)28-17-22-14-15-24(31-3)26-23(22)16-25(32-26)27(30)29-19(2)21-12-8-5-9-13-21/h4-16,18-19,28H,17H2,1-3H3,(H,29,30)
InChIKeyYEBRPUVGVUWTRD-UHFFFAOYSA-N
XLogP5.78
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 22733985
N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 22734076
7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734211
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid
CID 17052931
2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
CID 22734145
N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 133178584
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 94012379
7-methoxy-N-[1-(4-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 53281692
N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 22734198
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 94011908

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide (CID 22734310) is 7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide is COc1ccc(CNC(C)c2ccccc2)c2cc(C(=O)NC(C)c3ccccc3)oc12.
What is the InChIKey of 7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is YEBRPUVGVUWTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-18(20-10-6-4-7-11-20)28-17-22-14-15-24(31-3)26-23(22)16-25(32-26)27(30)29-19(2)21-12-8-5-9-13-21/h4-16,18-19,28H,17H2,1-3H3,(H,29,30).
What are the key properties of 7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22734310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).