7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione

C16H20N2O3 — CID 111476758

IUPAC7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCc1cc(C)cc(C(O)CN2C(=O)NC3(CCC3)C2=O)c1
InChIInChI=1S/C16H20N2O3/c1-10-6-11(2)8-12(7-10)13(19)9-18-14(20)16(4-3-5-16)17-15(18)21/h6-8,13,19H,3-5,9H2,1-2H3,(H,17,21)
InChIKeyQFCXIMKXZCAWNO-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.81
Rot. Bonds3

About 7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione

7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 111476758) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID111476758
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCc1cc(C)cc(C(O)CN2C(=O)NC3(CCC3)C2=O)c1
InChIInChI=1S/C16H20N2O3/c1-10-6-11(2)8-12(7-10)13(19)9-18-14(20)16(4-3-5-16)17-15(18)21/h6-8,13,19H,3-5,9H2,1-2H3,(H,17,21)
InChIKeyQFCXIMKXZCAWNO-UHFFFAOYSA-N
XLogP1.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 111476310
3-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 94385012
3-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 111476750
7-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110921257
3-[2-(3-chlorophenyl)-2-hydroxyethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 111476304
5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione
CID 111476311
3-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 94385017
3-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 31569830
3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 47053145
3-(3-bromo-2-hydroxypropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 112560051
3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 64995551
3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609704

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione (CID 111476758) is 7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione is Cc1cc(C)cc(C(O)CN2C(=O)NC3(CCC3)C2=O)c1.
What is the InChIKey of 7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is QFCXIMKXZCAWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-6-11(2)8-12(7-10)13(19)9-18-14(20)16(4-3-5-16)17-15(18)21/h6-8,13,19H,3-5,9H2,1-2H3,(H,17,21).
What are the key properties of 7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 288.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 111476758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).