N-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide

C31H37BrN2O — CID 173175986

IUPACN-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide
SMILESBr.CC1(C)C2CCC1NC(CC(CNC(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C31H36N2O.BrH/c1-30(2)26-18-19-28(30)33-27(20-26)21-31(24-14-8-4-9-15-24,25-16-10-5-11-17-25)22-32-29(34)23-12-6-3-7-13-23;/h3-17,26-28,33H,18-22H2,1-2H3,(H,32,34);1H
InChIKeyFMSBQYHNWNDCGR-UHFFFAOYSA-N
MW533.55 g/mol
LogP6.54
Rot. Bonds7

About N-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide

N-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide (PubChem CID 173175986) has the molecular formula C31H37BrN2O and a molecular weight of 533.55 g/mol. Its IUPAC name is N-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide.

Molecular Properties

Compound NameN-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide
PubChem CID173175986
Molecular FormulaC31H37BrN2O
Molecular Weight533.55 g/mol
Exact Mass532.21
IUPAC NameN-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide
SMILESBr.CC1(C)C2CCC1NC(CC(CNC(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C31H36N2O.BrH/c1-30(2)26-18-19-28(30)33-27(20-26)21-31(24-14-8-4-9-15-24,25-16-10-5-11-17-25)22-32-29(34)23-12-6-3-7-13-23;/h3-17,26-28,33H,18-22H2,1-2H3,(H,32,34);1H
InChIKeyFMSBQYHNWNDCGR-UHFFFAOYSA-N
XLogP6.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.55
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide with MolForge

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Related Compounds

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CID 110663962
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N-ethylbenzamide
CID 160772566
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Frequently Asked Questions

What is the IUPAC name of N-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide?
The IUPAC name of N-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide (CID 173175986) is N-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide.
What is the SMILES notation for N-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide?
The canonical SMILES for N-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide is Br.CC1(C)C2CCC1NC(CC(CNC(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of N-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide?
The InChIKey is FMSBQYHNWNDCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O.BrH/c1-30(2)26-18-19-28(30)33-27(20-26)21-31(24-14-8-4-9-15-24,25-16-10-5-11-17-25)22-32-29(34)23-12-6-3-7-13-23;/h3-17,26-28,33H,18-22H2,1-2H3,(H,32,34);1H.
What are the key properties of N-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide?
N-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide has a molecular weight of 533.55 g/mol, XLogP of 6.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8,8-dimethyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropyl]benzamide;hydrobromide is sourced from PubChem (CID 173175986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).