N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride

C17H25ClN2O — CID 118718251

IUPACN-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride
SMILESCCC(=O)N(c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-3-17(20)19(13-7-5-4-6-8-13)16-11-14-9-10-15(12-16)18(14)2;/h4-8,14-16H,3,9-12H2,1-2H3;1H/t14-,15+,16?;
InChIKeyCGEMVQYPDWJHKQ-JXMYBXCISA-N
MW308.85 g/mol
LogP3.48
Rot. Bonds3

About N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride

N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride (PubChem CID 118718251) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride
PubChem CID118718251
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride
SMILESCCC(=O)N(c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-3-17(20)19(13-7-5-4-6-8-13)16-11-14-9-10-15(12-16)18(14)2;/h4-8,14-16H,3,9-12H2,1-2H3;1H/t14-,15+,16?;
InChIKeyCGEMVQYPDWJHKQ-JXMYBXCISA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride?
The IUPAC name of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride (CID 118718251) is N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride.
What is the SMILES notation for N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride?
The canonical SMILES for N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride is CCC(=O)N(c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C.Cl.
What is the InChIKey of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride?
The InChIKey is CGEMVQYPDWJHKQ-JXMYBXCISA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c1-3-17(20)19(13-7-5-4-6-8-13)16-11-14-9-10-15(12-16)18(14)2;/h4-8,14-16H,3,9-12H2,1-2H3;1H/t14-,15+,16?;.
What are the key properties of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride?
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride is sourced from PubChem (CID 118718251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).