2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide

C12H16N2O2 — CID 115151665

IUPAC2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccc2c(c1)CCO2)C(=O)CN
InChIInChI=1S/C12H16N2O2/c1-14(12(15)7-13)8-9-2-3-11-10(6-9)4-5-16-11/h2-3,6H,4-5,7-8,13H2,1H3
InChIKeyWAMJJMOYNDULOV-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.54
Rot. Bonds3

About 2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide

2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide (PubChem CID 115151665) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
PubChem CID115151665
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccc2c(c1)CCO2)C(=O)CN
InChIInChI=1S/C12H16N2O2/c1-14(12(15)7-13)8-9-2-3-11-10(6-9)4-5-16-11/h2-3,6H,4-5,7-8,13H2,1H3
InChIKeyWAMJJMOYNDULOV-UHFFFAOYSA-N
XLogP0.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 115163484
4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide
CID 115156754
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide
CID 115191993
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 115164320
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylcarbamoyl bromide
CID 115194145
N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204974
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220019
3-amino-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylurea
CID 115193085
2-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanoic acid
CID 65067942
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide (CID 115151665) is 2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide is CN(Cc1ccc2c(c1)CCO2)C(=O)CN.
What is the InChIKey of 2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide?
The InChIKey is WAMJJMOYNDULOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14(12(15)7-13)8-9-2-3-11-10(6-9)4-5-16-11/h2-3,6H,4-5,7-8,13H2,1H3.
What are the key properties of 2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide?
2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide has a molecular weight of 220.27 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 115151665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).