7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide

C20H21NO4 — CID 71810493

IUPAC7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC(OC)c3ccccc3C)oc12
InChIInChI=1S/C20H21NO4/c1-13-7-4-5-9-15(13)18(24-3)12-21-20(22)17-11-14-8-6-10-16(23-2)19(14)25-17/h4-11,18H,12H2,1-3H3,(H,21,22)
InChIKeyLNQYAEARHCMXBP-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.87
Rot. Bonds6

About 7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 71810493) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID71810493
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC(OC)c3ccccc3C)oc12
InChIInChI=1S/C20H21NO4/c1-13-7-4-5-9-15(13)18(24-3)12-21-20(22)17-11-14-8-6-10-16(23-2)19(14)25-17/h4-11,18H,12H2,1-3H3,(H,21,22)
InChIKeyLNQYAEARHCMXBP-UHFFFAOYSA-N
XLogP3.87
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95367182
2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 90613369
2,3,4-trimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598793
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 90598011
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 90598696
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95368202
N-(3-ethyl-2-morpholin-4-ylpentyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869073
N-hexyl-7-methoxy-1-benzofuran-2-carboxamide
CID 78870029
7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78868688

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide (CID 71810493) is 7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCC(OC)c3ccccc3C)oc12.
What is the InChIKey of 7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is LNQYAEARHCMXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13-7-4-5-9-15(13)18(24-3)12-21-20(22)17-11-14-8-6-10-16(23-2)19(14)25-17/h4-11,18H,12H2,1-3H3,(H,21,22).
What are the key properties of 7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71810493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).