2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide

C13H16N2O2 — CID 115151779

IUPAC2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide
SMILESCN(CCc1coc2ccccc12)C(=O)CN
InChIInChI=1S/C13H16N2O2/c1-15(13(16)8-14)7-6-10-9-17-12-5-3-2-4-11(10)12/h2-5,9H,6-8,14H2,1H3
InChIKeyYEZPACCRVYOTFR-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.39
Rot. Bonds4

About 2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide

2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide (PubChem CID 115151779) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide
PubChem CID115151779
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide
SMILESCN(CCc1coc2ccccc12)C(=O)CN
InChIInChI=1S/C13H16N2O2/c1-15(13(16)8-14)7-6-10-9-17-12-5-3-2-4-11(10)12/h2-5,9H,6-8,14H2,1H3
InChIKeyYEZPACCRVYOTFR-UHFFFAOYSA-N
XLogP1.39
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
CID 115168716
N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide
CID 115166767
2-[2-(1-benzofuran-3-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128171
5-(1-benzofuran-3-yl)-N-methylpentanehydrazide
CID 116845280
4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide
CID 115156426
N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139234
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
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
2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115133037
N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide
CID 115163073
2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115180017

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide (CID 115151779) is 2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide is CN(CCc1coc2ccccc12)C(=O)CN.
What is the InChIKey of 2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide?
The InChIKey is YEZPACCRVYOTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15(13(16)8-14)7-6-10-9-17-12-5-3-2-4-11(10)12/h2-5,9H,6-8,14H2,1H3.
What are the key properties of 2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide?
2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide has a molecular weight of 232.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide is sourced from PubChem (CID 115151779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).