3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane

C27H39N3O4 — CID 143587396

IUPAC3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane
SMILESCCOC.COc1cc(CN2CCC3(CC2)C(=O)N(Cc2ccccc2)CN3C)cc(OC)c1
InChIInChI=1S/C24H31N3O3.C3H8O/c1-25-18-27(17-19-7-5-4-6-8-19)23(28)24(25)9-11-26(12-10-24)16-20-13-21(29-2)15-22(14-20)30-3;1-3-4-2/h4-8,13-15H,9-12,16-18H2,1-3H3;3H2,1-2H3
InChIKeyLLLDEDWLJTZSSO-UHFFFAOYSA-N
MW469.63 g/mol
LogP3.62
Rot. Bonds7

About 3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane

3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane (PubChem CID 143587396) has the molecular formula C27H39N3O4 and a molecular weight of 469.63 g/mol. Its IUPAC name is 3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane.

Molecular Properties

Compound Name3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane
PubChem CID143587396
Molecular FormulaC27H39N3O4
Molecular Weight469.63 g/mol
Exact Mass469.29
IUPAC Name3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane
SMILESCCOC.COc1cc(CN2CCC3(CC2)C(=O)N(Cc2ccccc2)CN3C)cc(OC)c1
InChIInChI=1S/C24H31N3O3.C3H8O/c1-25-18-27(17-19-7-5-4-6-8-19)23(28)24(25)9-11-26(12-10-24)16-20-13-21(29-2)15-22(14-20)30-3;1-3-4-2/h4-8,13-15H,9-12,16-18H2,1-3H3;3H2,1-2H3
InChIKeyLLLDEDWLJTZSSO-UHFFFAOYSA-N
XLogP3.62
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane 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

8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-3-[(E)-3-phenylprop-1-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 143341317
3,8-bis[(3,5-dimethoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 15951298
8-[(3,5-dimethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane;1-methylpyrrole
CID 143341319
8-benzyl-3-[(3-methoxyphenyl)methyl]-1-(2-phenylmethoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 59169836
8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane
CID 143341335
1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 143341314
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70779908
1-ethyl-8-[(3-methoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26234762
1-benzyl-8-[(2-hydroxy-5-methoxyphenyl)methyl]-3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134800
1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143670
(3R)-1-(2-methoxyethyl)-8-[(4-methoxyphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383981

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane?
The IUPAC name of 3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane (CID 143587396) is 3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane.
What is the SMILES notation for 3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane?
The canonical SMILES for 3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane is CCOC.COc1cc(CN2CCC3(CC2)C(=O)N(Cc2ccccc2)CN3C)cc(OC)c1.
What is the InChIKey of 3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane?
The InChIKey is LLLDEDWLJTZSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3.C3H8O/c1-25-18-27(17-19-7-5-4-6-8-19)23(28)24(25)9-11-26(12-10-24)16-20-13-21(29-2)15-22(14-20)30-3;1-3-4-2/h4-8,13-15H,9-12,16-18H2,1-3H3;3H2,1-2H3.
What are the key properties of 3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane?
3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane has a molecular weight of 469.63 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane is sourced from PubChem (CID 143587396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).