N-phenyl-N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride

C24H31ClN2O — CID 118718254

IUPACN-phenyl-N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride
SMILESCCC(=O)N(c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1.Cl
InChIInChI=1S/C24H30N2O.ClH/c1-2-24(27)26(20-11-7-4-8-12-20)23-17-21-13-14-22(18-23)25(21)16-15-19-9-5-3-6-10-19;/h3-12,21-23H,2,13-18H2,1H3;1H/t21-,22+,23?;
InChIKeyAZVIHBHADDLRBT-DHWZJIOFSA-N
MW398.98 g/mol
LogP5.09
Rot. Bonds6

About N-phenyl-N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride

N-phenyl-N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride (PubChem CID 118718254) has the molecular formula C24H31ClN2O and a molecular weight of 398.98 g/mol. Its IUPAC name is N-phenyl-N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-phenyl-N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride
PubChem CID118718254
Molecular FormulaC24H31ClN2O
Molecular Weight398.98 g/mol
Exact Mass398.21
IUPAC NameN-phenyl-N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride
SMILESCCC(=O)N(c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1.Cl
InChIInChI=1S/C24H30N2O.ClH/c1-2-24(27)26(20-11-7-4-8-12-20)23-17-21-13-14-22(18-23)25(21)16-15-19-9-5-3-6-10-19;/h3-12,21-23H,2,13-18H2,1H3;1H/t21-,22+,23?;
InChIKeyAZVIHBHADDLRBT-DHWZJIOFSA-N
XLogP5.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.98
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride?
The IUPAC name of N-phenyl-N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride (CID 118718254) is N-phenyl-N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride.
What is the SMILES notation for N-phenyl-N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride?
The canonical SMILES for N-phenyl-N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride is CCC(=O)N(c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1.Cl.
What is the InChIKey of N-phenyl-N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride?
The InChIKey is AZVIHBHADDLRBT-DHWZJIOFSA-N. The full InChI is InChI=1S/C24H30N2O.ClH/c1-2-24(27)26(20-11-7-4-8-12-20)23-17-21-13-14-22(18-23)25(21)16-15-19-9-5-3-6-10-19;/h3-12,21-23H,2,13-18H2,1H3;1H/t21-,22+,23?;.
What are the key properties of N-phenyl-N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride?
N-phenyl-N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride has a molecular weight of 398.98 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 118718254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).