tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen

C25H43N3O3 — CID 144998245

IUPACtert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen
SMILESCN(C)C1(C2=CCCC=C2)CCC2(CC1)CC(=O)N(CCCNC(=O)OC(C)(C)C)C2.[H][H]
InChIInChI=1S/C25H41N3O3.H2/c1-23(2,3)31-22(30)26-16-9-17-28-19-24(18-21(28)29)12-14-25(15-13-24,27(4)5)20-10-7-6-8-11-20;/h7,10-11H,6,8-9,12-19H2,1-5H3,(H,26,30);1H
InChIKeyRALPBLYCVXVWAR-UHFFFAOYSA-N
MW433.64 g/mol
LogP4.52
Rot. Bonds6

About tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen

tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen (PubChem CID 144998245) has the molecular formula C25H43N3O3 and a molecular weight of 433.64 g/mol. Its IUPAC name is tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen
PubChem CID144998245
Molecular FormulaC25H43N3O3
Molecular Weight433.64 g/mol
Exact Mass433.33
IUPAC Nametert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen
SMILESCN(C)C1(C2=CCCC=C2)CCC2(CC1)CC(=O)N(CCCNC(=O)OC(C)(C)C)C2.[H][H]
InChIInChI=1S/C25H41N3O3.H2/c1-23(2,3)31-22(30)26-16-9-17-28-19-24(18-21(28)29)12-14-25(15-13-24,27(4)5)20-10-7-6-8-11-20;/h7,10-11H,6,8-9,12-19H2,1-5H3,(H,26,30);1H
InChIKeyRALPBLYCVXVWAR-UHFFFAOYSA-N
XLogP4.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.64
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen with MolForge

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Related Compounds

2-(3-Aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
CID 144998227
8-Cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
CID 144998270
tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate
CID 144998246

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen?
The IUPAC name of tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen (CID 144998245) is tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen.
What is the SMILES notation for tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen?
The canonical SMILES for tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen is CN(C)C1(C2=CCCC=C2)CCC2(CC1)CC(=O)N(CCCNC(=O)OC(C)(C)C)C2.[H][H].
What is the InChIKey of tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen?
The InChIKey is RALPBLYCVXVWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O3.H2/c1-23(2,3)31-22(30)26-16-9-17-28-19-24(18-21(28)29)12-14-25(15-13-24,27(4)5)20-10-7-6-8-11-20;/h7,10-11H,6,8-9,12-19H2,1-5H3,(H,26,30);1H.
What are the key properties of tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen?
tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen has a molecular weight of 433.64 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen is sourced from PubChem (CID 144998245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).