2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide

C21H26N2O2 — CID 24650064

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide
SMILESCC(C)C(CNC(=O)Cc1coc2ccc3ccccc3c12)N(C)C
InChIInChI=1S/C21H26N2O2/c1-14(2)18(23(3)4)12-22-20(24)11-16-13-25-19-10-9-15-7-5-6-8-17(15)21(16)19/h5-10,13-14,18H,11-12H2,1-4H3,(H,22,24)
InChIKeyXTNWZRYYXAAANV-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.83
Rot. Bonds6

About 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide (PubChem CID 24650064) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide
PubChem CID24650064
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide
SMILESCC(C)C(CNC(=O)Cc1coc2ccc3ccccc3c12)N(C)C
InChIInChI=1S/C21H26N2O2/c1-14(2)18(23(3)4)12-22-20(24)11-16-13-25-19-10-9-15-7-5-6-8-17(15)21(16)19/h5-10,13-14,18H,11-12H2,1-4H3,(H,22,24)
InChIKeyXTNWZRYYXAAANV-UHFFFAOYSA-N
XLogP3.83
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
2-benzo[e][1]benzofuran-1-yl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
CID 18110418
2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921521
2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide
CID 18109883
methyl (2R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-4-methylpentanoate
CID 9113240
[(1R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium
CID 8795869
N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide
CID 4728241
2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
CID 8531335
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide
CID 4728287
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 8700530
[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525654
2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021114

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide (CID 24650064) is 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide is CC(C)C(CNC(=O)Cc1coc2ccc3ccccc3c12)N(C)C.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide?
The InChIKey is XTNWZRYYXAAANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14(2)18(23(3)4)12-22-20(24)11-16-13-25-19-10-9-15-7-5-6-8-17(15)21(16)19/h5-10,13-14,18H,11-12H2,1-4H3,(H,22,24).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide is sourced from PubChem (CID 24650064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).