8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C20H27N3O3 — CID 27397403

IUPAC8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)(C)C(=O)N1CCC2(CC1)NC(=O)N(CCc1ccccc1)C2=O
InChIInChI=1S/C20H27N3O3/c1-19(2,3)16(24)22-13-10-20(11-14-22)17(25)23(18(26)21-20)12-9-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,21,26)
InChIKeyDLAIYMNETWVZKI-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.19
Rot. Bonds3

About 8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 27397403) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID27397403
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)(C)C(=O)N1CCC2(CC1)NC(=O)N(CCc1ccccc1)C2=O
InChIInChI=1S/C20H27N3O3/c1-19(2,3)16(24)22-13-10-20(11-14-22)17(25)23(18(26)21-20)12-9-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,21,26)
InChIKeyDLAIYMNETWVZKI-UHFFFAOYSA-N
XLogP2.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

8-(furan-2-carbonyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109531
8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109566
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010
3-benzyl-8-(thiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278770
8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27622469
3-benzyl-8-(4-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16812524
8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130202637
3-(4-phenylbutyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 114334567
2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 142910401
N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 110810660
3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27396914
4-tert-butyl-N-[(4S)-2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2223330

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 27397403) is 8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)(C)C(=O)N1CCC2(CC1)NC(=O)N(CCc1ccccc1)C2=O.
What is the InChIKey of 8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is DLAIYMNETWVZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-19(2,3)16(24)22-13-10-20(11-14-22)17(25)23(18(26)21-20)12-9-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,21,26).
What are the key properties of 8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 357.45 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylpropanoyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 27397403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).