5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane

C19H29NO2 — CID 118744255

IUPAC5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCOCC1COCCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C19H29NO2/c1-21-15-18-16-22-14-10-19(18)8-12-20(13-9-19)11-7-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3
InChIKeyVDBYZIQXRIYXCJ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.99
Rot. Bonds5

About 5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane

5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 118744255) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID118744255
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCOCC1COCCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C19H29NO2/c1-21-15-18-16-22-14-10-19(18)8-12-20(13-9-19)11-7-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3
InChIKeyVDBYZIQXRIYXCJ-UHFFFAOYSA-N
XLogP2.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane 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

1-(2-(2-isopropyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl)piperidine hydrochloride
CID 16192588
1-Phenethyl-4-[2-(3-phenyl-prop-2-ynyloxy)-ethyl]-piperidine
CID 15229597
US11214540, Example 36
CID 142475381
US11214540, Example 3
CID 142475195
3-[(4-Tert-butylphenyl)methyl]-9-oxa-3-azaspiro[5.5]undecane
CID 145989321
Piperidine, 1-(2-(tetrahydro-2,2-dimethyl-4-(phenylmethyl)-2H-pyran-4-yl)ethyl)-
CID 3076287
Piperidine, 1-(2-(tetrahydro-2,2-dimethyl-4-phenyl-2H-pyran-4-yl)ethyl)-
CID 3076288
Morpholine, 4-(2-(tetrahydro-2,2-dimethyl-4-phenyl-2H-pyran-4-yl)ethyl)-
CID 3076289
Piperidine, 1-(2-(2-ethyltetrahydro-2-methyl-4-phenyl-2H-pyran-4-yl)ethyl)-
CID 3076290
Morpholine, 4-(2-(2-ethyltetrahydro-2-methyl-4-phenyl-2H-pyran-4-yl)ethyl)-
CID 3076291
[3-(3-Methoxypropyl)-1-(2-phenylethyl)-3-piperidinyl]methanol
CID 72837786
1-[5-(Methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-3-(2-methylphenyl)propan-1-one
CID 118739557

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane (CID 118744255) is 5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane is COCC1COCCC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is VDBYZIQXRIYXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-21-15-18-16-22-14-10-19(18)8-12-20(13-9-19)11-7-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3.
What are the key properties of 5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane?
5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 303.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 118744255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).