(3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane

C19H27NO2 — CID 97488488

IUPAC(3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(O[C@@H]2COC3(CCN(CC4CCC4)CC3)C2)cc1
InChIInChI=1S/C19H27NO2/c1-2-7-17(8-3-1)22-18-13-19(21-15-18)9-11-20(12-10-19)14-16-5-4-6-16/h1-3,7-8,16,18H,4-6,9-15H2/t18-/m0/s1
InChIKeyFKOXXDVWEKCZPR-SFHVURJKSA-N
MW301.43 g/mol
LogP3.49
Rot. Bonds4

About (3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane

(3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97488488) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is (3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID97488488
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name(3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(O[C@@H]2COC3(CCN(CC4CCC4)CC3)C2)cc1
InChIInChI=1S/C19H27NO2/c1-2-7-17(8-3-1)22-18-13-19(21-15-18)9-11-20(12-10-19)14-16-5-4-6-16/h1-3,7-8,16,18H,4-6,9-15H2/t18-/m0/s1
InChIKeyFKOXXDVWEKCZPR-SFHVURJKSA-N
XLogP3.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155856222
(3S)-8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 97395020
8-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 131645469
9-(cyclobutylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 134071300
3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134071068
(3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
CID 97488457
(3R)-8-(cyclobutylmethyl)-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419083
(3S,5R)-9-(cyclopropylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97371627
8-(cyclopropylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171695866
9-(2-methoxyethyl)-3-phenoxy-1-oxa-9-azaspiro[4.5]decane
CID 134071298
(3S,5S)-3-phenoxy-7-(thiadiazol-4-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 97394368
(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419274

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane (CID 97488488) is (3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane is c1ccc(O[C@@H]2COC3(CCN(CC4CCC4)CC3)C2)cc1.
What is the InChIKey of (3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is FKOXXDVWEKCZPR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27NO2/c1-2-7-17(8-3-1)22-18-13-19(21-15-18)9-11-20(12-10-19)14-16-5-4-6-16/h1-3,7-8,16,18H,4-6,9-15H2/t18-/m0/s1.
What are the key properties of (3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane?
(3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 301.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97488488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).