2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide

C14H26N4O2 — CID 61236323

IUPAC2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1C2CCC1CC(N)C2
InChIInChI=1S/C14H26N4O2/c1-14(2,3)17-13(20)16-12(19)8-18-10-4-5-11(18)7-9(15)6-10/h9-11H,4-8,15H2,1-3H3,(H2,16,17,19,20)
InChIKeyUXROOEIDTMINLG-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.56
Rot. Bonds2

About 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide

2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide (PubChem CID 61236323) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide
PubChem CID61236323
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1C2CCC1CC(N)C2
InChIInChI=1S/C14H26N4O2/c1-14(2,3)17-13(20)16-12(19)8-18-10-4-5-11(18)7-9(15)6-10/h9-11H,4-8,15H2,1-3H3,(H2,16,17,19,20)
InChIKeyUXROOEIDTMINLG-UHFFFAOYSA-N
XLogP0.56
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 61234625
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide
CID 61235196
[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid
CID 126736650
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 61234449
N-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 159359834
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide
CID 61235181
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 61235743
1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
CID 114426567
N-(tert-butylcarbamoyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 62357321
N-(tert-butylcarbamoyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 46673900
N-(tert-butylcarbamoyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999296
N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102787643

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide?
The IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide (CID 61236323) is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide is CC(C)(C)NC(=O)NC(=O)CN1C2CCC1CC(N)C2.
What is the InChIKey of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide?
The InChIKey is UXROOEIDTMINLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-14(2,3)17-13(20)16-12(19)8-18-10-4-5-11(18)7-9(15)6-10/h9-11H,4-8,15H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide?
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide has a molecular weight of 282.39 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide is sourced from PubChem (CID 61236323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).