6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane

C20H29NO2 — CID 126807038

IUPAC6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane
SMILESCCOC1CC2(CCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)C1
InChIInChI=1S/C20H29NO2/c1-4-22-17-11-20(12-17)7-8-21(14-20)13-15-5-6-18-16(9-15)10-19(2,3)23-18/h5-6,9,17H,4,7-8,10-14H2,1-3H3
InChIKeyPHOPQIWMWIVTEN-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.79
Rot. Bonds4

About 6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane

6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane (PubChem CID 126807038) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane
PubChem CID126807038
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane
SMILESCCOC1CC2(CCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)C1
InChIInChI=1S/C20H29NO2/c1-4-22-17-11-20(12-17)7-8-21(14-20)13-15-5-6-18-16(9-15)10-19(2,3)23-18/h5-6,9,17H,4,7-8,10-14H2,1-3H3
InChIKeyPHOPQIWMWIVTEN-UHFFFAOYSA-N
XLogP3.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane with MolForge

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908504
8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 74234956
7-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 77081415
1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-N,N-dimethylazepan-4-amine
CID 56916128
6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane
CID 126807039
(4R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-N,N-dimethylazepan-4-amine
CID 95729180
1-[(3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrolidin-3-yl]-4-ethylpiperazine
CID 97159105
1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide
CID 126794663
(3aS,6aS)-5-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 70746185
(5S)-9-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 99936096
2-(dimethylamino)-8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 74246970
4-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidin-4-yl]-5-methylpyrimidine
CID 74236987

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane?
The IUPAC name of 6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane (CID 126807038) is 6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane?
The canonical SMILES for 6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane is CCOC1CC2(CCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)C1.
What is the InChIKey of 6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane?
The InChIKey is PHOPQIWMWIVTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-4-22-17-11-20(12-17)7-8-21(14-20)13-15-5-6-18-16(9-15)10-19(2,3)23-18/h5-6,9,17H,4,7-8,10-14H2,1-3H3.
What are the key properties of 6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane?
6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane has a molecular weight of 315.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane is sourced from PubChem (CID 126807038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).