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tert-Butyl 4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate

HCID 389488
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIKey
BNYZRZNNKWZTKG-UHFFFAOYSA-N
Molecular formula
C18H25N3O3
Average molar mass
331.4 g/mol

Names & identifiers

Preferred name
tert-Butyl 4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
IUPAC
tert-butyl 4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate

Names & synonyms

tert-Butyl 4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate138091-52-8NSC685710SCHEMBL318858CHEMBL1973092TQP0730BNYZRZNNKWZTKG-UHFFFAOYSA-Ntert-butyl 1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxylateNSC-685710NCI60_030821DB-2992271-phenyl-8-tert-butoxycabonyl-1,3,8-triazaspiro[4.5]-decan-4-one
Show more names
8-(t-butoxycarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one8-t-Butyloxycarbonyl-1-phenyl-1,8-triazaspiro[4,5]-decan-4-one8-(tert-Butoxycarbonyl)-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one8-(tert.Butyloxycarbonyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-onetert-Butyl4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate4-Oxo-1-phenyl-1,3,8-triaza-spiro[4,5]decane-8-carboxylic acid tert-butyl ester4-oxo-1-phenyl-1,3,8-triaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
389488
ChEMBL
CHEMBL1973092

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
61.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Formal charge
0
Complexity
486

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Related reactions

29 records
New reaction record
HRID 208915 reaction equation
HRID 208915As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 458153 reaction equation
HRID 458153As reactantuspto-grants-2007_03
HRID 805173 reaction equation
HRID 805173As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 895615 reaction equation
HRID 895615As reactantuspto-grants-2005_07
HRID 975782 reaction equation
HRID 975782As reactantuspto-grants-1997_03
HRID 1750935 reaction equation
HRID 1750935As reactantuspto-grants-2015_10
HRID 1750937 reaction equation
HRID 1750937As reactantuspto-grants-2015_10
HRID 1750954 reaction equation
HRID 1750954As reactantuspto-grants-2015_10
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Compound notes

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