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

C18H18N2O3 — CID 9480740

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
SMILESCN(C)C(=O)CNC(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C18H18N2O3/c1-20(2)17(22)10-19-16(21)9-13-11-23-15-8-7-12-5-3-4-6-14(12)18(13)15/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyIBACKGPDSFJOAB-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.33
Rot. Bonds4

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

2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide (PubChem CID 9480740) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
PubChem CID9480740
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
SMILESCN(C)C(=O)CNC(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C18H18N2O3/c1-20(2)17(22)10-19-16(21)9-13-11-23-15-8-7-12-5-3-4-6-14(12)18(13)15/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyIBACKGPDSFJOAB-UHFFFAOYSA-N
XLogP2.33
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
CID 18110418
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 24650064
2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide
CID 18109883
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-[(3-methoxyphenyl)methyl]acetamide
CID 8921521
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide
CID 18279690
2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide
CID 829751
2-benzo[e][1]benzofuran-1-yl-N-(1,3-benzothiazol-2-ylmethyl)acetamide
CID 18110573
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide
CID 34543248
2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 4728264

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide (CID 9480740) is 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide is CN(C)C(=O)CNC(=O)Cc1coc2ccc3ccccc3c12.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide?
The InChIKey is IBACKGPDSFJOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20(2)17(22)10-19-16(21)9-13-11-23-15-8-7-12-5-3-4-6-14(12)18(13)15/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.33, 4 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)-2-oxoethyl]acetamide is sourced from PubChem (CID 9480740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).