2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide

C17H26N2O2 — CID 115614318

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C17H26N2O2/c1-5-19(6-2)16(20)12-18-11-13-7-8-15-14(9-13)10-17(3,4)21-15/h7-9,18H,5-6,10-12H2,1-4H3
InChIKeyAKQYOEBAGVLYIS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds6

About 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide

2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide (PubChem CID 115614318) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide
PubChem CID115614318
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C17H26N2O2/c1-5-19(6-2)16(20)12-18-11-13-7-8-15-14(9-13)10-17(3,4)21-15/h7-9,18H,5-6,10-12H2,1-4H3
InChIKeyAKQYOEBAGVLYIS-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide (CID 115614318) is 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CNCc1ccc2c(c1)CC(C)(C)O2.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide?
The InChIKey is AKQYOEBAGVLYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-19(6-2)16(20)12-18-11-13-7-8-15-14(9-13)10-17(3,4)21-15/h7-9,18H,5-6,10-12H2,1-4H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 115614318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).