8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-3-[(E)-3-phenylprop-1-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C26H31N3O4 — CID 143341317

IUPAC8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-3-[(E)-3-phenylprop-1-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cc(CN2CCC3(CC2)C(=O)N(/C=C/Cc2ccccc2)C(=O)N3C)cc(OC)c1
InChIInChI=1S/C26H31N3O4/c1-27-25(31)29(13-7-10-20-8-5-4-6-9-20)24(30)26(27)11-14-28(15-12-26)19-21-16-22(32-2)18-23(17-21)33-3/h4-9,13,16-18H,10-12,14-15,19H2,1-3H3/b13-7+
InChIKeyRVWYHFNNEBVGGP-NTUHNPAUSA-N
MW449.55 g/mol
LogP3.69
Rot. Bonds7

About 8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-3-[(E)-3-phenylprop-1-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-3-[(E)-3-phenylprop-1-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 143341317) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-3-[(E)-3-phenylprop-1-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-3-[(E)-3-phenylprop-1-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID143341317
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-3-[(E)-3-phenylprop-1-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cc(CN2CCC3(CC2)C(=O)N(/C=C/Cc2ccccc2)C(=O)N3C)cc(OC)c1
InChIInChI=1S/C26H31N3O4/c1-27-25(31)29(13-7-10-20-8-5-4-6-9-20)24(30)26(27)11-14-28(15-12-26)19-21-16-22(32-2)18-23(17-21)33-3/h4-9,13,16-18H,10-12,14-15,19H2,1-3H3/b13-7+
InChIKeyRVWYHFNNEBVGGP-NTUHNPAUSA-N
XLogP3.69
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;methoxyethane
CID 143587396
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
1-methyl-3-(2-phenylethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26234591
1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 143341314
8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 143341336
1-methyl-3-(2-phenylethyl)-8-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26147707
3,8-bis[(3,5-dimethoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 15951298
3-[(3-methoxyphenyl)methyl]-8-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 143341331
8-benzyl-3-[(3-methoxyphenyl)methyl]-1-(2-phenylmethoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 59169836
1-[2-(4-methoxyphenyl)ethyl]-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26226545
3-benzyl-1-methyl-8-[(4-methylsulfanylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224503
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

Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-3-[(E)-3-phenylprop-1-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 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) is 8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-3-[(E)-3-phenylprop-1-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-3-[(E)-3-phenylprop-1-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-3-[(E)-3-phenylprop-1-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1cc(CN2CCC3(CC2)C(=O)N(/C=C/Cc2ccccc2)C(=O)N3C)cc(OC)c1.
What is the InChIKey of 8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-3-[(E)-3-phenylprop-1-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is RVWYHFNNEBVGGP-NTUHNPAUSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-27-25(31)29(13-7-10-20-8-5-4-6-9-20)24(30)26(27)11-14-28(15-12-26)19-21-16-22(32-2)18-23(17-21)33-3/h4-9,13,16-18H,10-12,14-15,19H2,1-3H3/b13-7+.
What are the key properties of 8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-3-[(E)-3-phenylprop-1-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-3-[(E)-3-phenylprop-1-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 449.55 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dimethoxyphenyl)methyl]-1-methyl-3-[(E)-3-phenylprop-1-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 143341317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).