tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate

C23H43N3O3 — CID 166632819

IUPACtert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate
SMILESCC(C)C[C@@H](/C=C/CC(=O)NC1CC(C)(C)NC(C)(C)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H43N3O3/c1-16(2)13-17(25-20(28)29-21(3,4)5)11-10-12-19(27)24-18-14-22(6,7)26-23(8,9)15-18/h10-11,16-18,26H,12-15H2,1-9H3,(H,24,27)(H,25,28)/b11-10+/t17-/m1/s1
InChIKeyGDSZVSVBWMVWHT-SXSDINLZSA-N
MW409.62 g/mol
LogP4.30
Rot. Bonds7

About tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate

tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate (PubChem CID 166632819) has the molecular formula C23H43N3O3 and a molecular weight of 409.62 g/mol. Its IUPAC name is tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate
PubChem CID166632819
Molecular FormulaC23H43N3O3
Molecular Weight409.62 g/mol
Exact Mass409.33
IUPAC Nametert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate
SMILESCC(C)C[C@@H](/C=C/CC(=O)NC1CC(C)(C)NC(C)(C)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H43N3O3/c1-16(2)13-17(25-20(28)29-21(3,4)5)11-10-12-19(27)24-18-14-22(6,7)26-23(8,9)15-18/h10-11,16-18,26H,12-15H2,1-9H3,(H,24,27)(H,25,28)/b11-10+/t17-/m1/s1
InChIKeyGDSZVSVBWMVWHT-SXSDINLZSA-N
XLogP4.30
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate (CID 166632819) is tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate is CC(C)C[C@@H](/C=C/CC(=O)NC1CC(C)(C)NC(C)(C)C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate?
The InChIKey is GDSZVSVBWMVWHT-SXSDINLZSA-N. The full InChI is InChI=1S/C23H43N3O3/c1-16(2)13-17(25-20(28)29-21(3,4)5)11-10-12-19(27)24-18-14-22(6,7)26-23(8,9)15-18/h10-11,16-18,26H,12-15H2,1-9H3,(H,24,27)(H,25,28)/b11-10+/t17-/m1/s1.
What are the key properties of tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate?
tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate has a molecular weight of 409.62 g/mol, XLogP of 4.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate is sourced from PubChem (CID 166632819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).