9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane

C25H40N2O2 — CID 141117511

IUPAC9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane
SMILESCC(C)COc1ccccc1CN1CCC2(CC1)CCN(C1CCCCO1)CC2
InChIInChI=1S/C25H40N2O2/c1-21(2)20-29-23-8-4-3-7-22(23)19-26-14-10-25(11-15-26)12-16-27(17-13-25)24-9-5-6-18-28-24/h3-4,7-8,21,24H,5-6,9-20H2,1-2H3
InChIKeySOVAKFZIPUTPDR-UHFFFAOYSA-N
MW400.61 g/mol
LogP4.93
Rot. Bonds6

About 9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane

9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane (PubChem CID 141117511) has the molecular formula C25H40N2O2 and a molecular weight of 400.61 g/mol. Its IUPAC name is 9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane
PubChem CID141117511
Molecular FormulaC25H40N2O2
Molecular Weight400.61 g/mol
Exact Mass400.31
IUPAC Name9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane
SMILESCC(C)COc1ccccc1CN1CCC2(CC1)CCN(C1CCCCO1)CC2
InChIInChI=1S/C25H40N2O2/c1-21(2)20-29-23-8-4-3-7-22(23)19-26-14-10-25(11-15-26)12-16-27(17-13-25)24-9-5-6-18-28-24/h3-4,7-8,21,24H,5-6,9-20H2,1-2H3
InChIKeySOVAKFZIPUTPDR-UHFFFAOYSA-N
XLogP4.93
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[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

3-(benzenesulfonyl)-9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecane
CID 69426398
(4-chlorophenyl)-[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 69427957
N-tert-butyl-9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 69430181
4-[[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]sulfonyl]benzoic acid
CID 69427589
N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine
CID 54794563
(2E,4E)-6-[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-6-oxohexa-2,4-dienoic acid
CID 87835502
[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-4-ylmethanone
CID 69429871
1-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]-4-[[2-(2-methylpropoxy)phenyl]methyl]piperazine
CID 95788805
[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-quinolin-2-ylmethanone
CID 69425001
3-[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-1H-pyridin-2-one
CID 58172801
[7-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone
CID 69428746
2,4-dimethyl-5-[[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]sulfonyl]-1,3-thiazole
CID 69437672

Frequently Asked Questions

What is the IUPAC name of 9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane (CID 141117511) is 9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane is CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C1CCCCO1)CC2.
What is the InChIKey of 9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is SOVAKFZIPUTPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O2/c1-21(2)20-29-23-8-4-3-7-22(23)19-26-14-10-25(11-15-26)12-16-27(17-13-25)24-9-5-6-18-28-24/h3-4,7-8,21,24H,5-6,9-20H2,1-2H3.
What are the key properties of 9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane?
9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 400.61 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(oxan-2-yl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 141117511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).