8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one

C26H31NO3 — CID 66835239

IUPAC8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
SMILESCCc1ccc2c3c(oc2c1)C(C)(C)c1cc(OCCN(CC)CC)ccc1C3=O
InChIInChI=1S/C26H31NO3/c1-6-17-9-11-20-22(15-17)30-25-23(20)24(28)19-12-10-18(16-21(19)26(25,4)5)29-14-13-27(7-2)8-3/h9-12,15-16H,6-8,13-14H2,1-5H3
InChIKeyYPBLNMSBOUMUMP-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.59
Rot. Bonds7

About 8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one

8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one (PubChem CID 66835239) has the molecular formula C26H31NO3 and a molecular weight of 405.54 g/mol. Its IUPAC name is 8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one.

Molecular Properties

Compound Name8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
PubChem CID66835239
Molecular FormulaC26H31NO3
Molecular Weight405.54 g/mol
Exact Mass405.23
IUPAC Name8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
SMILESCCc1ccc2c3c(oc2c1)C(C)(C)c1cc(OCCN(CC)CC)ccc1C3=O
InChIInChI=1S/C26H31NO3/c1-6-17-9-11-20-22(15-17)30-25-23(20)24(28)19-12-10-18(16-21(19)26(25,4)5)29-14-13-27(7-2)8-3/h9-12,15-16H,6-8,13-14H2,1-5H3
InChIKeyYPBLNMSBOUMUMP-UHFFFAOYSA-N
XLogP5.59
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The IUPAC name of 8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one (CID 66835239) is 8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one.
What is the SMILES notation for 8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The canonical SMILES for 8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one is CCc1ccc2c3c(oc2c1)C(C)(C)c1cc(OCCN(CC)CC)ccc1C3=O.
What is the InChIKey of 8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The InChIKey is YPBLNMSBOUMUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO3/c1-6-17-9-11-20-22(15-17)30-25-23(20)24(28)19-12-10-18(16-21(19)26(25,4)5)29-14-13-27(7-2)8-3/h9-12,15-16H,6-8,13-14H2,1-5H3.
What are the key properties of 8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one has a molecular weight of 405.54 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one is sourced from PubChem (CID 66835239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).