2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane

C18H27NO2 — CID 65214030

IUPAC2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCOc1ccc(CC2(C)CNCC3(CCCCC3)O2)cc1
InChIInChI=1S/C18H27NO2/c1-17(12-15-6-8-16(20-2)9-7-15)13-19-14-18(21-17)10-4-3-5-11-18/h6-9,19H,3-5,10-14H2,1-2H3
InChIKeyYIEAEFWLLYYHAP-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.32
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane

2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65214030) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65214030
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCOc1ccc(CC2(C)CNCC3(CCCCC3)O2)cc1
InChIInChI=1S/C18H27NO2/c1-17(12-15-6-8-16(20-2)9-7-15)13-19-14-18(21-17)10-4-3-5-11-18/h6-9,19H,3-5,10-14H2,1-2H3
InChIKeyYIEAEFWLLYYHAP-UHFFFAOYSA-N
XLogP3.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methoxyphenyl)methyl]azetidin-3-ol
CID 83685225
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
2-benzyl-2,6,6-trimethylmorpholine
CID 65126692
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69475295
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270
6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine]
CID 114497491
N-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine
CID 159638665
2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride
CID 71756717
3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 115067319
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 95851579
4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-oxaspiro[4.5]dec-3-en-2-one
CID 54710503
1-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84777463

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane (CID 65214030) is 2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane is COc1ccc(CC2(C)CNCC3(CCCCC3)O2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is YIEAEFWLLYYHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-17(12-15-6-8-16(20-2)9-7-15)13-19-14-18(21-17)10-4-3-5-11-18/h6-9,19H,3-5,10-14H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane?
2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 289.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65214030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).