8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C23H28N2O4 — CID 26008305

IUPAC8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(C[C@H](O)COc1cccc3ccccc13)C2=O
InChIInChI=1S/C23H28N2O4/c1-2-16-10-12-23(13-11-16)21(27)25(22(28)24-23)14-18(26)15-29-20-9-5-7-17-6-3-4-8-19(17)20/h3-9,16,18,26H,2,10-15H2,1H3,(H,24,28)/t16?,18-,23?/m0/s1
InChIKeySSNSNNPZOURJSJ-HRZDDSQGSA-N
MW396.49 g/mol
LogP3.47
Rot. Bonds6

About 8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 26008305) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID26008305
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(C[C@H](O)COc1cccc3ccccc13)C2=O
InChIInChI=1S/C23H28N2O4/c1-2-16-10-12-23(13-11-16)21(27)25(22(28)24-23)14-18(26)15-29-20-9-5-7-17-6-3-4-8-19(17)20/h3-9,16,18,26H,2,10-15H2,1H3,(H,24,28)/t16?,18-,23?/m0/s1
InChIKeySSNSNNPZOURJSJ-HRZDDSQGSA-N
XLogP3.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.47
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

8-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51924291
8-ethyl-3-(2-methylpropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7568235
3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 742840
(4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 25469140
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 25372678
3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione
CID 2309613
3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103599854
3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223027
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18086917
1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one
CID 52566005
3-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 31569830

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 26008305) is 8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CCC1CCC2(CC1)NC(=O)N(C[C@H](O)COc1cccc3ccccc13)C2=O.
What is the InChIKey of 8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is SSNSNNPZOURJSJ-HRZDDSQGSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-16-10-12-23(13-11-16)21(27)25(22(28)24-23)14-18(26)15-29-20-9-5-7-17-6-3-4-8-19(17)20/h3-9,16,18,26H,2,10-15H2,1H3,(H,24,28)/t16?,18-,23?/m0/s1.
What are the key properties of 8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 396.49 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26008305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).