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

C15H22N2O2 — CID 63270938

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C15H22N2O2/c1-10(14(18)16-4)17-9-11-5-6-13-12(7-11)8-15(2,3)19-13/h5-7,10,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyCZWABGFJHATOFK-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.62
Rot. Bonds4

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

2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide (PubChem CID 63270938) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide
PubChem CID63270938
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C15H22N2O2/c1-10(14(18)16-4)17-9-11-5-6-13-12(7-11)8-15(2,3)19-13/h5-7,10,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyCZWABGFJHATOFK-UHFFFAOYSA-N
XLogP1.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylbutanoic acid
CID 63271115
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]but-3-en-2-amine
CID 113254593
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]but-3-yn-2-amine
CID 114415329
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 63271296
3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide
CID 119121779
2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 115614307
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
CID 119121765
2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 119121844
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide
CID 115614318
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63612015

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide (CID 63270938) is 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1ccc2c(c1)CC(C)(C)O2.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide?
The InChIKey is CZWABGFJHATOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(14(18)16-4)17-9-11-5-6-13-12(7-11)8-15(2,3)19-13/h5-7,10,17H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide?
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 1.62, 4 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-5-yl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 63270938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).