4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane

C19H29NO2 — CID 175903976

IUPAC4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCOc1ccc(CN2CCOC3(CCCC(C)(C)C3)C2)cc1
InChIInChI=1S/C19H29NO2/c1-18(2)9-4-10-19(14-18)15-20(11-12-22-19)13-16-5-7-17(21-3)8-6-16/h5-8H,4,9-15H2,1-3H3
InChIKeyKXOXQAPJVBVILZ-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.87
Rot. Bonds3

About 4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane

4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 175903976) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID175903976
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCOc1ccc(CN2CCOC3(CCCC(C)(C)C3)C2)cc1
InChIInChI=1S/C19H29NO2/c1-18(2)9-4-10-19(14-18)15-20(11-12-22-19)13-16-5-7-17(21-3)8-6-16/h5-8H,4,9-15H2,1-3H3
InChIKeyKXOXQAPJVBVILZ-UHFFFAOYSA-N
XLogP3.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-4-[(4-methoxyphenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97372995
(6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373139
8-[(3-methoxyphenyl)methyl]-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134077366
(6S)-8-(4-methoxyphenyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492001
(5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97374289
1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 131649622
(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 95043156
4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride
CID 154914796
(6S)-2-[(4-methoxyphenyl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494777
9-[(4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155849939
(5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385034
3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134794834

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane (CID 175903976) is 4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane is COc1ccc(CN2CCOC3(CCCC(C)(C)C3)C2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is KXOXQAPJVBVILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-18(2)9-4-10-19(14-18)15-20(11-12-22-19)13-16-5-7-17(21-3)8-6-16/h5-8H,4,9-15H2,1-3H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane?
4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 303.45 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 175903976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).