8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate

C23H32N2O6 — CID 134786315

IUPAC8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate
SMILESCCCCOC(=O)N1CCC2(CC1)[C@@H](C(=O)OCC)[C@@H](O)C(=O)N2Cc1ccccc1
InChIInChI=1S/C23H32N2O6/c1-3-5-15-31-22(29)24-13-11-23(12-14-24)18(21(28)30-4-2)19(26)20(27)25(23)16-17-9-7-6-8-10-17/h6-10,18-19,26H,3-5,11-16H2,1-2H3/t18-,19-/m1/s1
InChIKeyLCXVQJRHKXDFKH-RTBURBONSA-N
MW432.52 g/mol
LogP2.34
Rot. Bonds7

About 8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate

8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate (PubChem CID 134786315) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is 8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate.

Molecular Properties

Compound Name8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate
PubChem CID134786315
Molecular FormulaC23H32N2O6
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC Name8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate
SMILESCCCCOC(=O)N1CCC2(CC1)[C@@H](C(=O)OCC)[C@@H](O)C(=O)N2Cc1ccccc1
InChIInChI=1S/C23H32N2O6/c1-3-5-15-31-22(29)24-13-11-23(12-14-24)18(21(28)30-4-2)19(26)20(27)25(23)16-17-9-7-6-8-10-17/h6-10,18-19,26H,3-5,11-16H2,1-2H3/t18-,19-/m1/s1
InChIKeyLCXVQJRHKXDFKH-RTBURBONSA-N
XLogP2.34
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 118738486
butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 144930300
butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate
CID 19960200
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 70245325
butyl (3S,4S)-3-hydroxy-4-(3-phenylpropyl)piperidine-1-carboxylate
CID 70214164
butyl 3-hydroxy-4-(3-phenylpropyl)piperidine-1-carboxylate
CID 70214162
1-butoxycarbonyl-4-naphthalen-2-ylpiperidine-4-carboxylic acid
CID 19044683
butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 72881410
1-butoxycarbonyl-4-methylpiperidine-4-carboxylic acid
CID 66661220
butyl aziridine-1-carboxylate
CID 12641
ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 165176370

Frequently Asked Questions

What is the IUPAC name of 8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate?
The IUPAC name of 8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate (CID 134786315) is 8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate.
What is the SMILES notation for 8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate?
The canonical SMILES for 8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate is CCCCOC(=O)N1CCC2(CC1)[C@@H](C(=O)OCC)[C@@H](O)C(=O)N2Cc1ccccc1.
What is the InChIKey of 8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate?
The InChIKey is LCXVQJRHKXDFKH-RTBURBONSA-N. The full InChI is InChI=1S/C23H32N2O6/c1-3-5-15-31-22(29)24-13-11-23(12-14-24)18(21(28)30-4-2)19(26)20(27)25(23)16-17-9-7-6-8-10-17/h6-10,18-19,26H,3-5,11-16H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of 8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate?
8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate has a molecular weight of 432.52 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate is sourced from PubChem (CID 134786315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).