2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide

C13H18N2O2 — CID 106700860

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNC1c2ccccc2OC1(C)C
InChIInChI=1S/C13H18N2O2/c1-13(2)12(15-8-11(16)14-3)9-6-4-5-7-10(9)17-13/h4-7,12,15H,8H2,1-3H3,(H,14,16)
InChIKeyYEATWIIRUKVBEX-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.23
Rot. Bonds3

About 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide

2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide (PubChem CID 106700860) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide
PubChem CID106700860
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNC1c2ccccc2OC1(C)C
InChIInChI=1S/C13H18N2O2/c1-13(2)12(15-8-11(16)14-3)9-6-4-5-7-10(9)17-13/h4-7,12,15H,8H2,1-3H3,(H,14,16)
InChIKeyYEATWIIRUKVBEX-UHFFFAOYSA-N
XLogP1.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide
CID 106701339
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol
CID 107849705
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-ethylethanesulfonamide
CID 106334729
N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701361
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide
CID 106336127
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
CID 106701422
2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol
CID 106701232
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
CID 106700871
2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701284

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide (CID 106700860) is 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide is CNC(=O)CNC1c2ccccc2OC1(C)C.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide?
The InChIKey is YEATWIIRUKVBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2)12(15-8-11(16)14-3)9-6-4-5-7-10(9)17-13/h4-7,12,15H,8H2,1-3H3,(H,14,16).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide has a molecular weight of 234.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide is sourced from PubChem (CID 106700860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).