8-[(1R)-2-(2-butyl-4-hydroxyphenyl)-1-[ethyl(methyl)amino]ethyl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione

C23H35N3O4 — CID 126490467

IUPAC8-[(1R)-2-(2-butyl-4-hydroxyphenyl)-1-[ethyl(methyl)amino]ethyl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCCCc1cc(O)ccc1C[C@@H](N(C)CC)C1(O)CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C23H35N3O4/c1-4-6-7-16-14-18(27)9-8-17(16)15-19(26(3)5-2)23(30)12-10-22(11-13-23)20(28)24-21(29)25-22/h8-9,14,19,27,30H,4-7,10-13,15H2,1-3H3,(H2,24,25,28,29)/t19-,22?,23?/m1/s1
InChIKeyLKNWAWLONUEPEF-YUVSOPLDSA-N
MW417.55 g/mol
LogP2.48
Rot. Bonds8

About 8-[(1R)-2-(2-butyl-4-hydroxyphenyl)-1-[ethyl(methyl)amino]ethyl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione

8-[(1R)-2-(2-butyl-4-hydroxyphenyl)-1-[ethyl(methyl)amino]ethyl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 126490467) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is 8-[(1R)-2-(2-butyl-4-hydroxyphenyl)-1-[ethyl(methyl)amino]ethyl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(1R)-2-(2-butyl-4-hydroxyphenyl)-1-[ethyl(methyl)amino]ethyl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID126490467
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Name8-[(1R)-2-(2-butyl-4-hydroxyphenyl)-1-[ethyl(methyl)amino]ethyl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCCCc1cc(O)ccc1C[C@@H](N(C)CC)C1(O)CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C23H35N3O4/c1-4-6-7-16-14-18(27)9-8-17(16)15-19(26(3)5-2)23(30)12-10-22(11-13-23)20(28)24-21(29)25-22/h8-9,14,19,27,30H,4-7,10-13,15H2,1-3H3,(H2,24,25,28,29)/t19-,22?,23?/m1/s1
InChIKeyLKNWAWLONUEPEF-YUVSOPLDSA-N
XLogP2.48
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-2-(2-butyl-4-hydroxyphenyl)-1-[ethyl(methyl)amino]ethyl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(1R)-2-(2-butyl-4-hydroxyphenyl)-1-[ethyl(methyl)amino]ethyl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione (CID 126490467) is 8-[(1R)-2-(2-butyl-4-hydroxyphenyl)-1-[ethyl(methyl)amino]ethyl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(1R)-2-(2-butyl-4-hydroxyphenyl)-1-[ethyl(methyl)amino]ethyl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(1R)-2-(2-butyl-4-hydroxyphenyl)-1-[ethyl(methyl)amino]ethyl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione is CCCCc1cc(O)ccc1C[C@@H](N(C)CC)C1(O)CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-[(1R)-2-(2-butyl-4-hydroxyphenyl)-1-[ethyl(methyl)amino]ethyl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is LKNWAWLONUEPEF-YUVSOPLDSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-4-6-7-16-14-18(27)9-8-17(16)15-19(26(3)5-2)23(30)12-10-22(11-13-23)20(28)24-21(29)25-22/h8-9,14,19,27,30H,4-7,10-13,15H2,1-3H3,(H2,24,25,28,29)/t19-,22?,23?/m1/s1.
What are the key properties of 8-[(1R)-2-(2-butyl-4-hydroxyphenyl)-1-[ethyl(methyl)amino]ethyl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione?
8-[(1R)-2-(2-butyl-4-hydroxyphenyl)-1-[ethyl(methyl)amino]ethyl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 417.55 g/mol, XLogP of 2.48, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-2-(2-butyl-4-hydroxyphenyl)-1-[ethyl(methyl)amino]ethyl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 126490467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).