N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide

C24H30N2O — CID 119457922

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide
SMILESO=C(CC(Cc1ccccc1)Cc1ccccc1)NC1CC2CCC(C1)N2
InChIInChI=1S/C24H30N2O/c27-24(26-23-16-21-11-12-22(17-23)25-21)15-20(13-18-7-3-1-4-8-18)14-19-9-5-2-6-10-19/h1-10,20-23,25H,11-17H2,(H,26,27)
InChIKeySJIFOBRUKLINCU-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.88
Rot. Bonds7

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide (PubChem CID 119457922) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide
PubChem CID119457922
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide
SMILESO=C(CC(Cc1ccccc1)Cc1ccccc1)NC1CC2CCC(C1)N2
InChIInChI=1S/C24H30N2O/c27-24(26-23-16-21-11-12-22(17-23)25-21)15-20(13-18-7-3-1-4-8-18)14-19-9-5-2-6-10-19/h1-10,20-23,25H,11-17H2,(H,26,27)
InChIKeySJIFOBRUKLINCU-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide (CID 119457922) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide is O=C(CC(Cc1ccccc1)Cc1ccccc1)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide?
The InChIKey is SJIFOBRUKLINCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c27-24(26-23-16-21-11-12-22(17-23)25-21)15-20(13-18-7-3-1-4-8-18)14-19-9-5-2-6-10-19/h1-10,20-23,25H,11-17H2,(H,26,27).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide has a molecular weight of 362.52 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide is sourced from PubChem (CID 119457922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).