8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane

C18H27NO3 — CID 134074923

IUPAC8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCOCCN1CCC2(CC1)CC(OCc1ccccc1)CO2
InChIInChI=1S/C18H27NO3/c1-20-12-11-19-9-7-18(8-10-19)13-17(15-22-18)21-14-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeySHWPAMXLVSOIRW-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.47
Rot. Bonds6

About 8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane

8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 134074923) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID134074923
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCOCCN1CCC2(CC1)CC(OCc1ccccc1)CO2
InChIInChI=1S/C18H27NO3/c1-20-12-11-19-9-7-18(8-10-19)13-17(15-22-18)21-14-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeySHWPAMXLVSOIRW-UHFFFAOYSA-N
XLogP2.47
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane (CID 134074923) is 8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane is COCCN1CCC2(CC1)CC(OCc1ccccc1)CO2.
What is the InChIKey of 8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is SHWPAMXLVSOIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-20-12-11-19-9-7-18(8-10-19)13-17(15-22-18)21-14-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3.
What are the key properties of 8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane?
8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 305.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 134074923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).