2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide

C20H23NO2 — CID 829751

IUPAC2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C20H23NO2/c1-3-11-21(12-4-2)19(22)13-16-14-23-18-10-9-15-7-5-6-8-17(15)20(16)18/h5-10,14H,3-4,11-13H2,1-2H3
InChIKeyBAWVSQFSUFJLEH-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.78
Rot. Bonds6

About 2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide

2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide (PubChem CID 829751) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide
PubChem CID829751
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C20H23NO2/c1-3-11-21(12-4-2)19(22)13-16-14-23-18-10-9-15-7-5-6-8-17(15)20(16)18/h5-10,14H,3-4,11-13H2,1-2H3
InChIKeyBAWVSQFSUFJLEH-UHFFFAOYSA-N
XLogP4.78
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide
CID 18109883
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide
CID 18279690
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 18872572
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56510653
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
benzo[e][1]benzofuran-1-ylmethanol
CID 13405240
2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 31240268
2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 9469786
2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide
CID 9094777
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide
CID 34543248
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide
CID 4728287
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 24650064

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide (CID 829751) is 2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1coc2ccc3ccccc3c12.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide?
The InChIKey is BAWVSQFSUFJLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-11-21(12-4-2)19(22)13-16-14-23-18-10-9-15-7-5-6-8-17(15)20(16)18/h5-10,14H,3-4,11-13H2,1-2H3.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide?
2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide has a molecular weight of 309.41 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide is sourced from PubChem (CID 829751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).