2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride

C24H31ClN2O — CID 119810421

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride
SMILESCc1cccc(C(NC(=O)CC2CC3CCC(C2)N3)c2cccc(C)c2)c1.Cl
InChIInChI=1S/C24H30N2O.ClH/c1-16-5-3-7-19(11-16)24(20-8-4-6-17(2)12-20)26-23(27)15-18-13-21-9-10-22(14-18)25-21;/h3-8,11-12,18,21-22,24-25H,9-10,13-15H2,1-2H3,(H,26,27);1H
InChIKeyFWRNSVFAUSBFRF-UHFFFAOYSA-N
MW398.98 g/mol
LogP4.85
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride (PubChem CID 119810421) has the molecular formula C24H31ClN2O and a molecular weight of 398.98 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride
PubChem CID119810421
Molecular FormulaC24H31ClN2O
Molecular Weight398.98 g/mol
Exact Mass398.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride
SMILESCc1cccc(C(NC(=O)CC2CC3CCC(C2)N3)c2cccc(C)c2)c1.Cl
InChIInChI=1S/C24H30N2O.ClH/c1-16-5-3-7-19(11-16)24(20-8-4-6-17(2)12-20)26-23(27)15-18-13-21-9-10-22(14-18)25-21;/h3-8,11-12,18,21-22,24-25H,9-10,13-15H2,1-2H3,(H,26,27);1H
InChIKeyFWRNSVFAUSBFRF-UHFFFAOYSA-N
XLogP4.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.98
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methoxyphenyl)methyl]acetamide
CID 119812625
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 79611025
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,1-diphenylpropan-2-yl)acetamide;hydrochloride
CID 119716625
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethyl-1-phenylpropyl)acetamide;hydrochloride
CID 119724650
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119808311
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 107863325
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685958
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide
CID 119757001
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 119810351
(3R)-3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-(3-chlorophenyl)propanamide
CID 119819997
N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 119338864

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride (CID 119810421) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride is Cc1cccc(C(NC(=O)CC2CC3CCC(C2)N3)c2cccc(C)c2)c1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride?
The InChIKey is FWRNSVFAUSBFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O.ClH/c1-16-5-3-7-19(11-16)24(20-8-4-6-17(2)12-20)26-23(27)15-18-13-21-9-10-22(14-18)25-21;/h3-8,11-12,18,21-22,24-25H,9-10,13-15H2,1-2H3,(H,26,27);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride has a molecular weight of 398.98 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119810421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).