4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C24H32N2O2 — CID 118562507

IUPAC4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCOC(Cc1ccccc1)N1CCC2(CC1)CN(Cc1ccccc1)CCO2
InChIInChI=1S/C24H32N2O2/c1-27-23(18-21-8-4-2-5-9-21)26-14-12-24(13-15-26)20-25(16-17-28-24)19-22-10-6-3-7-11-22/h2-11,23H,12-20H2,1H3
InChIKeyNDMDOCXWAMALHG-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.57
Rot. Bonds6

About 4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 118562507) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID118562507
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCOC(Cc1ccccc1)N1CCC2(CC1)CN(Cc1ccccc1)CCO2
InChIInChI=1S/C24H32N2O2/c1-27-23(18-21-8-4-2-5-9-21)26-14-12-24(13-15-26)20-25(16-17-28-24)19-22-10-6-3-7-11-22/h2-11,23H,12-20H2,1H3
InChIKeyNDMDOCXWAMALHG-UHFFFAOYSA-N
XLogP3.57
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

4-benzyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372231
2-benzyl-6-oxa-2-azaspiro[4.5]decane
CID 82390526
(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 95043156
(5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97374289
9-[(4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155849939
9-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155824898
tert-butyl 2-benzyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 23548221
[(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol
CID 169228655
(6S)-4-[(4-methoxyphenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97372995
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155877545
8-[(3-methoxyphenyl)methyl]-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134077366

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 118562507) is 4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is COC(Cc1ccccc1)N1CCC2(CC1)CN(Cc1ccccc1)CCO2.
What is the InChIKey of 4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is NDMDOCXWAMALHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-27-23(18-21-8-4-2-5-9-21)26-14-12-24(13-15-26)20-25(16-17-28-24)19-22-10-6-3-7-11-22/h2-11,23H,12-20H2,1H3.
What are the key properties of 4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 380.53 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-9-(1-methoxy-2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 118562507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).