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

C17H25NO2 — CID 65103450

IUPAC2-(phenylmethoxymethyl)-1-oxa-4-azaspiro[5.5]undecane
SMILESc1ccc(COCC2CNCC3(CCCCC3)O2)cc1
InChIInChI=1S/C17H25NO2/c1-3-7-15(8-4-1)12-19-13-16-11-18-14-17(20-16)9-5-2-6-10-17/h1,3-4,7-8,16,18H,2,5-6,9-14H2
InChIKeyPSSGRTNPDHNOBS-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.89
Rot. Bonds4

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

2-(phenylmethoxymethyl)-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65103450) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(phenylmethoxymethyl)-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(phenylmethoxymethyl)-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65103450
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(phenylmethoxymethyl)-1-oxa-4-azaspiro[5.5]undecane
SMILESc1ccc(COCC2CNCC3(CCCCC3)O2)cc1
InChIInChI=1S/C17H25NO2/c1-3-7-15(8-4-1)12-19-13-16-11-18-14-17(20-16)9-5-2-6-10-17/h1,3-4,7-8,16,18H,2,5-6,9-14H2
InChIKeyPSSGRTNPDHNOBS-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(phenylmethoxymethyl)-1-oxa-4-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

(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
(6R)-2-methyl-6-(phenylmethoxymethyl)morpholine
CID 68662666
2-(phenylmethoxymethyl)-5-oxa-8-azaspiro[3.5]nonane
CID 155893606
2-benzyl-1-oxa-3-azaspiro[4.4]nonane
CID 82184395
6-[(3-methoxyphenyl)methoxymethyl]-2,2-dimethylmorpholine
CID 114775645
2-[2-[(6,6-dimethylmorpholin-2-yl)methoxymethyl]phenyl]acetic acid
CID 106940905
(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane
CID 65103698
(5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane
CID 110160739
2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
CID 65103852
(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
CID 170603335

Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethyl)-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-(phenylmethoxymethyl)-1-oxa-4-azaspiro[5.5]undecane (CID 65103450) is 2-(phenylmethoxymethyl)-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(phenylmethoxymethyl)-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-(phenylmethoxymethyl)-1-oxa-4-azaspiro[5.5]undecane is c1ccc(COCC2CNCC3(CCCCC3)O2)cc1.
What is the InChIKey of 2-(phenylmethoxymethyl)-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is PSSGRTNPDHNOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-7-15(8-4-1)12-19-13-16-11-18-14-17(20-16)9-5-2-6-10-17/h1,3-4,7-8,16,18H,2,5-6,9-14H2.
What are the key properties of 2-(phenylmethoxymethyl)-1-oxa-4-azaspiro[5.5]undecane?
2-(phenylmethoxymethyl)-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 275.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethyl)-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65103450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).