3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C19H27N3O2 — CID 26224764

IUPAC3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C
InChIInChI=1S/C19H27N3O2/c1-4-15(2)21-12-10-19(11-13-21)17(23)22(18(24)20(19)3)14-16-8-6-5-7-9-16/h5-9,15H,4,10-14H2,1-3H3/t15-/m0/s1
InChIKeyCYOQYFACQLZVBV-HNNXBMFYSA-N
MW329.44 g/mol
LogP2.71
Rot. Bonds4

About 3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26224764) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26224764
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C
InChIInChI=1S/C19H27N3O2/c1-4-15(2)21-12-10-19(11-13-21)17(23)22(18(24)20(19)3)14-16-8-6-5-7-9-16/h5-9,15H,4,10-14H2,1-3H3/t15-/m0/s1
InChIKeyCYOQYFACQLZVBV-HNNXBMFYSA-N
XLogP2.71
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26141030
8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26145179
8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214040
1-methyl-8-propan-2-yl-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26233644
3-benzyl-1-methyl-8-[(4-methylsulfanylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224503
8-[(2R)-butan-2-yl]-1-ethyl-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26231274
8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45164484
methyl 2-[8-butan-2-yl-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
CID 45163960
8-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-1-methyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26233132
8-[(2S)-butan-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26222211
1-methyl-8-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26229873
3-ethyl-8-[(2S)-1-methylsulfanylpropan-2-yl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26220331

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26224764) is 3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C.
What is the InChIKey of 3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is CYOQYFACQLZVBV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-15(2)21-12-10-19(11-13-21)17(23)22(18(24)20(19)3)14-16-8-6-5-7-9-16/h5-9,15H,4,10-14H2,1-3H3/t15-/m0/s1.
What are the key properties of 3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 329.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26224764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).