(3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane

C17H25NO — CID 97395102

IUPAC(3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane
SMILESC[C@@H]1CO[C@]2(CCCN(CCc3ccccc3)C2)C1
InChIInChI=1S/C17H25NO/c1-15-12-17(19-13-15)9-5-10-18(14-17)11-8-16-6-3-2-4-7-16/h2-4,6-7,15H,5,8-14H2,1H3/t15-,17+/m0/s1
InChIKeyKTYKHZUYFLNWKG-DOTOQJQBSA-N
MW259.39 g/mol
LogP3.12
Rot. Bonds3

About (3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane

(3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97395102) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane
PubChem CID97395102
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane
SMILESC[C@@H]1CO[C@]2(CCCN(CCc3ccccc3)C2)C1
InChIInChI=1S/C17H25NO/c1-15-12-17(19-13-15)9-5-10-18(14-17)11-8-16-6-3-2-4-7-16/h2-4,6-7,15H,5,8-14H2,1H3/t15-,17+/m0/s1
InChIKeyKTYKHZUYFLNWKG-DOTOQJQBSA-N
XLogP3.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine
CID 97397277
3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134071068
N-[[(3S,5S)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]-1,3-thiazol-2-amine
CID 98818732
12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one
CID 129053879
7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane
CID 172620639
N-methyl-2-[[7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071038
3-(4-methylpiperazin-1-yl)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decane
CID 134078972
9-(2-methoxyethyl)-3-phenoxy-1-oxa-9-azaspiro[4.5]decane
CID 134071298
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 124782595
(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 135089439
N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 155878318

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane (CID 97395102) is (3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane is C[C@@H]1CO[C@]2(CCCN(CCc3ccccc3)C2)C1.
What is the InChIKey of (3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is KTYKHZUYFLNWKG-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H25NO/c1-15-12-17(19-13-15)9-5-10-18(14-17)11-8-16-6-3-2-4-7-16/h2-4,6-7,15H,5,8-14H2,1H3/t15-,17+/m0/s1.
What are the key properties of (3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane?
(3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 259.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97395102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).