2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide

C18H17NO2 — CID 110851126

IUPAC2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1coc2ccccc12
InChIInChI=1S/C18H17NO2/c1-19(12-14-7-3-2-4-8-14)18(20)11-15-13-21-17-10-6-5-9-16(15)17/h2-10,13H,11-12H2,1H3
InChIKeyGWSMGMQZKGNIJH-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.63
Rot. Bonds4

About 2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide

2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide (PubChem CID 110851126) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
PubChem CID110851126
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1coc2ccccc12
InChIInChI=1S/C18H17NO2/c1-19(12-14-7-3-2-4-8-14)18(20)11-15-13-21-17-10-6-5-9-16(15)17/h2-10,13H,11-12H2,1H3
InChIKeyGWSMGMQZKGNIJH-UHFFFAOYSA-N
XLogP3.63
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzofuran-3-yl)-N-methyl-N-phenylacetamide
CID 110856943
N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139234
N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide
CID 115163073
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide
CID 22519666
N-benzyl-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 18872237
N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 115157997
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525269
2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 31240268
4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide
CID 115156426
2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
CID 81317589
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78770799

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide?
The IUPAC name of 2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide (CID 110851126) is 2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide is CN(Cc1ccccc1)C(=O)Cc1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide?
The InChIKey is GWSMGMQZKGNIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-19(12-14-7-3-2-4-8-14)18(20)11-15-13-21-17-10-6-5-9-16(15)17/h2-10,13H,11-12H2,1H3.
What are the key properties of 2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide?
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide has a molecular weight of 279.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide is sourced from PubChem (CID 110851126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).