2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide

C24H25NO4 — CID 66834686

IUPAC2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc2c(c1)C(C)(C)c1oc3ccccc3c1C2=O
InChIInChI=1S/C24H25NO4/c1-5-25(6-2)20(26)14-28-15-11-12-16-18(13-15)24(3,4)23-21(22(16)27)17-9-7-8-10-19(17)29-23/h7-13H,5-6,14H2,1-4H3
InChIKeyNJKOYAASAGJQHD-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.55
Rot. Bonds5

About 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide

2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide (PubChem CID 66834686) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide
PubChem CID66834686
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc2c(c1)C(C)(C)c1oc3ccccc3c1C2=O
InChIInChI=1S/C24H25NO4/c1-5-25(6-2)20(26)14-28-15-11-12-16-18(13-15)24(3,4)23-21(22(16)27)17-9-7-8-10-19(17)29-23/h7-13H,5-6,14H2,1-4H3
InChIKeyNJKOYAASAGJQHD-UHFFFAOYSA-N
XLogP4.55
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxyacetyl]piperazine-1-carboxylic acid
CID 140676091
2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-[2-(2-hydroxyethylamino)ethyl]acetamide
CID 167193500
2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide
CID 67127765
(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl) trifluoromethanesulfonate
CID 86663832
8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 66835005
8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 66834956
8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 66835239
2-[8-[(2S)-2,3-dihydroxypropoxy]-6,6-dimethyl-11-oxonaphtho[2,3-b][1]benzofuran-3-yl]oxy-N-phenylacetamide
CID 121231527
[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxonaphtho[2,3-b][1]benzofuran-3-yl] trifluoromethanesulfonate
CID 87173516
8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one
CID 54587775
6,6-dimethyl-3-propan-2-yloxy-8-(2,3,4-trihydroxybutoxy)naphtho[3,2-b][1]benzofuran-11-one
CID 77194229
3-bromo-8-(2,3-dihydroxypropoxy)-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 77194267

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide?
The IUPAC name of 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide (CID 66834686) is 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide.
What is the SMILES notation for 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide?
The canonical SMILES for 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc2c(c1)C(C)(C)c1oc3ccccc3c1C2=O.
What is the InChIKey of 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide?
The InChIKey is NJKOYAASAGJQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-5-25(6-2)20(26)14-28-15-11-12-16-18(13-15)24(3,4)23-21(22(16)27)17-9-7-8-10-19(17)29-23/h7-13H,5-6,14H2,1-4H3.
What are the key properties of 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide?
2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide has a molecular weight of 391.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide is sourced from PubChem (CID 66834686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).