(2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone

C28H38N2O4 — CID 69429777

IUPAC(2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC3(CCN(Cc4ccccc4OCC(C)C)CC3)C2)c1OC
InChIInChI=1S/C28H38N2O4/c1-21(2)19-34-24-10-6-5-8-22(24)18-29-15-12-28(13-16-29)14-17-30(20-28)27(31)23-9-7-11-25(32-3)26(23)33-4/h5-11,21H,12-20H2,1-4H3
InChIKeyXZYMCSLKGZULDY-UHFFFAOYSA-N
MW466.62 g/mol
LogP4.87
Rot. Bonds8

About (2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone

(2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 69429777) has the molecular formula C28H38N2O4 and a molecular weight of 466.62 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID69429777
Molecular FormulaC28H38N2O4
Molecular Weight466.62 g/mol
Exact Mass466.28
IUPAC Name(2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC3(CCN(Cc4ccccc4OCC(C)C)CC3)C2)c1OC
InChIInChI=1S/C28H38N2O4/c1-21(2)19-34-24-10-6-5-8-22(24)18-29-15-12-28(13-16-29)14-17-30(20-28)27(31)23-9-7-11-25(32-3)26(23)33-4/h5-11,21H,12-20H2,1-4H3
InChIKeyXZYMCSLKGZULDY-UHFFFAOYSA-N
XLogP4.87
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.62
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 69427107
(6-methoxynaphthalen-2-yl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 69428040
[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 69437110
(2,6-dimethoxy-3-pyridinyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 69436535
(4-chloro-2-methylsulfonylphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 69430170
3-[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-1H-pyridin-2-one
CID 58172801
1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 69429169
2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 69429885
[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone;2,2,2-trifluoroacetic acid
CID 87834411
2-(3,4-dimethoxyphenyl)-1-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 69429779
[7-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone
CID 69428746
(4-chlorophenyl)-[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 69427957

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone (CID 69429777) is (2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone is COc1cccc(C(=O)N2CCC3(CCN(Cc4ccccc4OCC(C)C)CC3)C2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is XZYMCSLKGZULDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O4/c1-21(2)19-34-24-10-6-5-8-22(24)18-29-15-12-28(13-16-29)14-17-30(20-28)27(31)23-9-7-11-25(32-3)26(23)33-4/h5-11,21H,12-20H2,1-4H3.
What are the key properties of (2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone?
(2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 466.62 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 69429777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).