2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide

C25H19NO2 — CID 18279690

IUPAC2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide
SMILESCN(C(=O)Cc1coc2ccc3ccccc3c12)c1ccc2ccccc2c1
InChIInChI=1S/C25H19NO2/c1-26(21-12-10-17-6-2-3-8-19(17)14-21)24(27)15-20-16-28-23-13-11-18-7-4-5-9-22(18)25(20)23/h2-14,16H,15H2,1H3
InChIKeyJYYQJZPAQZNPNS-UHFFFAOYSA-N
MW365.43 g/mol
LogP5.94
Rot. Bonds3

About 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide

2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide (PubChem CID 18279690) has the molecular formula C25H19NO2 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide
PubChem CID18279690
Molecular FormulaC25H19NO2
Molecular Weight365.43 g/mol
Exact Mass365.14
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide
SMILESCN(C(=O)Cc1coc2ccc3ccccc3c12)c1ccc2ccccc2c1
InChIInChI=1S/C25H19NO2/c1-26(21-12-10-17-6-2-3-8-19(17)14-21)24(27)15-20-16-28-23-13-11-18-7-4-5-9-22(18)25(20)23/h2-14,16H,15H2,1H3
InChIKeyJYYQJZPAQZNPNS-UHFFFAOYSA-N
XLogP5.94
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.94
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-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 31240268
2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide
CID 829751
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-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 9469786
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 18872572
2-(1-benzofuran-3-yl)-N-methyl-N-phenylacetamide
CID 110856943
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
CID 18230580
benzo[e][1]benzofuran-1-ylmethanol
CID 13405240
methyl (2R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-4-methylpentanoate
CID 9113240
(4-chloro-2-methylphenyl) 2-benzo[e][1]benzofuran-1-ylacetate
CID 7931004

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide (CID 18279690) is 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide is CN(C(=O)Cc1coc2ccc3ccccc3c12)c1ccc2ccccc2c1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide?
The InChIKey is JYYQJZPAQZNPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO2/c1-26(21-12-10-17-6-2-3-8-19(17)14-21)24(27)15-20-16-28-23-13-11-18-7-4-5-9-22(18)25(20)23/h2-14,16H,15H2,1H3.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide?
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide has a molecular weight of 365.43 g/mol, XLogP of 5.94, 3 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-methyl-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 18279690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).