N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride

C29H33ClN2O — CID 24835778

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCN1C2CCC1CC(N(CCc1ccccc1)C(=O)c1ccc(-c3ccccc3)cc1)C2.Cl
InChIInChI=1S/C29H32N2O.ClH/c1-30-26-16-17-27(30)21-28(20-26)31(19-18-22-8-4-2-5-9-22)29(32)25-14-12-24(13-15-25)23-10-6-3-7-11-23;/h2-15,26-28H,16-21H2,1H3;1H
InChIKeyYDDPCDOUPHPOCJ-UHFFFAOYSA-N
MW461.05 g/mol
LogP6.09
Rot. Bonds6

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride (PubChem CID 24835778) has the molecular formula C29H33ClN2O and a molecular weight of 461.05 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride
PubChem CID24835778
Molecular FormulaC29H33ClN2O
Molecular Weight461.05 g/mol
Exact Mass460.23
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCN1C2CCC1CC(N(CCc1ccccc1)C(=O)c1ccc(-c3ccccc3)cc1)C2.Cl
InChIInChI=1S/C29H32N2O.ClH/c1-30-26-16-17-27(30)21-28(20-26)31(19-18-22-8-4-2-5-9-22)29(32)25-14-12-24(13-15-25)23-10-6-3-7-11-23;/h2-15,26-28H,16-21H2,1H3;1H
InChIKeyYDDPCDOUPHPOCJ-UHFFFAOYSA-N
XLogP6.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.05
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride (CID 24835778) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride is CN1C2CCC1CC(N(CCc1ccccc1)C(=O)c1ccc(-c3ccccc3)cc1)C2.Cl.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride?
The InChIKey is YDDPCDOUPHPOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O.ClH/c1-30-26-16-17-27(30)21-28(20-26)31(19-18-22-8-4-2-5-9-22)29(32)25-14-12-24(13-15-25)23-10-6-3-7-11-23;/h2-15,26-28H,16-21H2,1H3;1H.
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride has a molecular weight of 461.05 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride is sourced from PubChem (CID 24835778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).