bis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide)

C48H88N8O4 — CID 158668280

IUPACbis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide)
SMILESCC(C)(C)C(=O)N[C@@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@H]1CC2CCN(C2)C1
InChIInChI=1S/4C12H22N2O/c4*1-12(2,3)11(15)13-10-6-9-4-5-14(7-9)8-10/h4*9-10H,4-8H2,1-3H3,(H,13,15)/t4*9?,10-/m1100/s1
InChIKeyIDQBVCHUYWXHFW-HLTMWHSRSA-N
MW841.28 g/mol
LogP4.97
Rot. Bonds4

About bis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide)

bis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide) (PubChem CID 158668280) has the molecular formula C48H88N8O4 and a molecular weight of 841.28 g/mol. Its IUPAC name is bis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide).

Molecular Properties

Compound Namebis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide)
PubChem CID158668280
Molecular FormulaC48H88N8O4
Molecular Weight841.28 g/mol
Exact Mass840.69
IUPAC Namebis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide)
SMILESCC(C)(C)C(=O)N[C@@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@H]1CC2CCN(C2)C1
InChIInChI=1S/4C12H22N2O/c4*1-12(2,3)11(15)13-10-6-9-4-5-14(7-9)8-10/h4*9-10H,4-8H2,1-3H3,(H,13,15)/t4*9?,10-/m1100/s1
InChIKeyIDQBVCHUYWXHFW-HLTMWHSRSA-N
XLogP4.97
TPSA129.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500841.28
LogP ≤ 54.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze bis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide) with MolForge

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Related Compounds

N-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2,2-dimethylpropanamide;N-[(3S,4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2,2-dimethylpropanamide;N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2,2-dimethylpropanamide;N-[(3S,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2,2-dimethylpropanamide
CID 158406014
N-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide
CID 158952977
1-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-3,3-dimethylbutan-2-one;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide)
CID 159013686
N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide
CID 159596502

Frequently Asked Questions

What is the IUPAC name of bis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide)?
The IUPAC name of bis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide) (CID 158668280) is bis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide).
What is the SMILES notation for bis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide)?
The canonical SMILES for bis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide) is CC(C)(C)C(=O)N[C@@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@H]1CC2CCN(C2)C1.
What is the InChIKey of bis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide)?
The InChIKey is IDQBVCHUYWXHFW-HLTMWHSRSA-N. The full InChI is InChI=1S/4C12H22N2O/c4*1-12(2,3)11(15)13-10-6-9-4-5-14(7-9)8-10/h4*9-10H,4-8H2,1-3H3,(H,13,15)/t4*9?,10-/m1100/s1.
What are the key properties of bis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide)?
bis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide) has a molecular weight of 841.28 g/mol, XLogP of 4.97, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide) is sourced from PubChem (CID 158668280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).