2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C21H23NO4 — CID 134054992

IUPAC2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCOc1ccc2c(CC(=O)NCc3ccc(OC(C)C)cc3)coc2c1
InChIInChI=1S/C21H23NO4/c1-14(2)26-17-6-4-15(5-7-17)12-22-21(23)10-16-13-25-20-11-18(24-3)8-9-19(16)20/h4-9,11,13-14H,10,12H2,1-3H3,(H,22,23)
InChIKeyHISZKVHDBPQQDZ-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.09
Rot. Bonds7

About 2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 134054992) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID134054992
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCOc1ccc2c(CC(=O)NCc3ccc(OC(C)C)cc3)coc2c1
InChIInChI=1S/C21H23NO4/c1-14(2)26-17-6-4-15(5-7-17)12-22-21(23)10-16-13-25-20-11-18(24-3)8-9-19(16)20/h4-9,11,13-14H,10,12H2,1-3H3,(H,22,23)
InChIKeyHISZKVHDBPQQDZ-UHFFFAOYSA-N
XLogP4.09
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 31449553
2-(6-methoxy-1-benzofuran-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 27742710
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 92542869
N-[(4-methoxyphenyl)methyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3330142
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 120505622
N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 40790081
N-[(2,4-dichlorophenyl)methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2707238
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2664215
N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 55747538
4-hydroxy-N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8895546

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 134054992) is 2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is COc1ccc2c(CC(=O)NCc3ccc(OC(C)C)cc3)coc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is HISZKVHDBPQQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-14(2)26-17-6-4-15(5-7-17)12-22-21(23)10-16-13-25-20-11-18(24-3)8-9-19(16)20/h4-9,11,13-14H,10,12H2,1-3H3,(H,22,23).
What are the key properties of 2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 134054992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).