N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide

C13H13NO3 — CID 115166767

IUPACN-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide
SMILESCN(CCc1coc2ccccc12)C(=O)C=O
InChIInChI=1S/C13H13NO3/c1-14(13(16)8-15)7-6-10-9-17-12-5-3-2-4-11(10)12/h2-5,8-9H,6-7H2,1H3
InChIKeyXCBBTJCBWMRCRK-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.63
Rot. Bonds4

About N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide

N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide (PubChem CID 115166767) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide
PubChem CID115166767
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC NameN-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide
SMILESCN(CCc1coc2ccccc12)C(=O)C=O
InChIInChI=1S/C13H13NO3/c1-14(13(16)8-15)7-6-10-9-17-12-5-3-2-4-11(10)12/h2-5,8-9H,6-7H2,1H3
InChIKeyXCBBTJCBWMRCRK-UHFFFAOYSA-N
XLogP1.63
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
CID 115168716
2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide
CID 115151779
N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide
CID 115166755
2-[2-(1-benzofuran-3-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128171
5-(1-benzofuran-3-yl)-N-methylpentanehydrazide
CID 116845280
N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139234
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 115157997
2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol
CID 115120994
2-(1-benzofuran-3-yl)-N-methyl-N-phenylacetamide
CID 110856943
4-(1-benzofuran-3-yl)butanehydrazide
CID 116843663
2-[2-(1-benzofuran-3-yl)ethylamino]acetic acid
CID 83641419

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide?
The IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide (CID 115166767) is N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide?
The canonical SMILES for N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide is CN(CCc1coc2ccccc12)C(=O)C=O.
What is the InChIKey of N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide?
The InChIKey is XCBBTJCBWMRCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-14(13(16)8-15)7-6-10-9-17-12-5-3-2-4-11(10)12/h2-5,8-9H,6-7H2,1H3.
What are the key properties of N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide?
N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide has a molecular weight of 231.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 115166767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).