3-(2-hydroxy-2-phenylethyl)-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C19H26N2O3 — CID 4826054

IUPAC3-(2-hydroxy-2-phenylethyl)-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(O)c1ccccc1)C2=O
InChIInChI=1S/C19H26N2O3/c1-13-9-18(2,3)12-19(10-13)16(23)21(17(24)20-19)11-15(22)14-7-5-4-6-8-14/h4-8,13,15,22H,9-12H2,1-3H3,(H,20,24)
InChIKeyWGDPEWHUCBAXCV-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.86
Rot. Bonds3

About 3-(2-hydroxy-2-phenylethyl)-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-(2-hydroxy-2-phenylethyl)-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 4826054) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(2-hydroxy-2-phenylethyl)-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxy-2-phenylethyl)-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID4826054
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-(2-hydroxy-2-phenylethyl)-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(O)c1ccccc1)C2=O
InChIInChI=1S/C19H26N2O3/c1-13-9-18(2,3)12-19(10-13)16(23)21(17(24)20-19)11-15(22)14-7-5-4-6-8-14/h4-8,13,15,22H,9-12H2,1-3H3,(H,20,24)
InChIKeyWGDPEWHUCBAXCV-UHFFFAOYSA-N
XLogP2.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-phenylethyl)-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2-hydroxy-2-phenylethyl)-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 4826054) is 3-(2-hydroxy-2-phenylethyl)-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2-hydroxy-2-phenylethyl)-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2-hydroxy-2-phenylethyl)-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(O)c1ccccc1)C2=O.
What is the InChIKey of 3-(2-hydroxy-2-phenylethyl)-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is WGDPEWHUCBAXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-9-18(2,3)12-19(10-13)16(23)21(17(24)20-19)11-15(22)14-7-5-4-6-8-14/h4-8,13,15,22H,9-12H2,1-3H3,(H,20,24).
What are the key properties of 3-(2-hydroxy-2-phenylethyl)-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(2-hydroxy-2-phenylethyl)-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 330.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-phenylethyl)-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 4826054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).