2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane

C19H29NO3 — CID 131962031

IUPAC2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane
SMILESCCCOc1ccc(OCCN2CCC3(CCCOC3)C2)cc1
InChIInChI=1S/C19H29NO3/c1-2-12-22-17-4-6-18(7-5-17)23-14-11-20-10-9-19(15-20)8-3-13-21-16-19/h4-7H,2-3,8-16H2,1H3
InChIKeyDEQXAYHZLUHALG-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.36
Rot. Bonds7

About 2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane

2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane (PubChem CID 131962031) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane
PubChem CID131962031
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane
SMILESCCCOc1ccc(OCCN2CCC3(CCCOC3)C2)cc1
InChIInChI=1S/C19H29NO3/c1-2-12-22-17-4-6-18(7-5-17)23-14-11-20-10-9-19(15-20)8-3-13-21-16-19/h4-7H,2-3,8-16H2,1H3
InChIKeyDEQXAYHZLUHALG-UHFFFAOYSA-N
XLogP3.36
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 115873813
3-methyl-9-[2-(4-propoxyphenoxy)ethyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56914456
ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane
CID 171515874
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
8-ethyl-2-oxa-8-azaspiro[5.5]undecane
CID 153357345
2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane
CID 122140145
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
(5R)-7-ethyl-2-oxa-7-azaspiro[4.4]nonane
CID 142524383
(5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472054
3-amino-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 107324984
7-[2-[4-(trifluoromethyl)phenoxy]ethyl]-2λ4-thia-7-azaspiro[3.4]octane 2-oxide
CID 168907519
4-(4-propoxyphenyl)-1-propylpiperidin-4-ol
CID 62795398

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane (CID 131962031) is 2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane is CCCOc1ccc(OCCN2CCC3(CCCOC3)C2)cc1.
What is the InChIKey of 2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane?
The InChIKey is DEQXAYHZLUHALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-2-12-22-17-4-6-18(7-5-17)23-14-11-20-10-9-19(15-20)8-3-13-21-16-19/h4-7H,2-3,8-16H2,1H3.
What are the key properties of 2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane?
2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane has a molecular weight of 319.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 131962031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).