3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C21H30N2O4 — CID 25372678

IUPAC3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(C)c(OC[C@H](O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1C
InChIInChI=1S/C21H30N2O4/c1-13-7-9-21(10-8-13)19(25)23(20(26)22-21)11-17(24)12-27-18-15(3)6-5-14(2)16(18)4/h5-6,13,17,24H,7-12H2,1-4H3,(H,22,26)/t13?,17-,21?/m1/s1
InChIKeyHFLCUQHTNKFDJB-WAPLAKNRSA-N
MW374.48 g/mol
LogP2.85
Rot. Bonds5

About 3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 25372678) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID25372678
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(C)c(OC[C@H](O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1C
InChIInChI=1S/C21H30N2O4/c1-13-7-9-21(10-8-13)19(25)23(20(26)22-21)11-17(24)12-27-18-15(3)6-5-14(2)16(18)4/h5-6,13,17,24H,7-12H2,1-4H3,(H,22,26)/t13?,17-,21?/m1/s1
InChIKeyHFLCUQHTNKFDJB-WAPLAKNRSA-N
XLogP2.85
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31569790
3-[(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 26482215
3-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 16566048
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18086917
3-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 31569830
2-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 47015597
3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 17491461
8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 26008305
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 47556102
3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 95582367
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 18086921

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 25372678) is 3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccc(C)c(OC[C@H](O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1C.
What is the InChIKey of 3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is HFLCUQHTNKFDJB-WAPLAKNRSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-13-7-9-21(10-8-13)19(25)23(20(26)22-21)11-17(24)12-27-18-15(3)6-5-14(2)16(18)4/h5-6,13,17,24H,7-12H2,1-4H3,(H,22,26)/t13?,17-,21?/m1/s1.
What are the key properties of 3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 374.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 25372678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).