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

C19H27ClN2O — CID 118718256

IUPACN-phenyl-N-[(1S,5R)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride
SMILESC=CCN1[C@@H]2CC[C@H]1CC(N(C(=O)CC)c1ccccc1)C2.Cl
InChIInChI=1S/C19H26N2O.ClH/c1-3-12-20-16-10-11-17(20)14-18(13-16)21(19(22)4-2)15-8-6-5-7-9-15;/h3,5-9,16-18H,1,4,10-14H2,2H3;1H/t16-,17+,18?;
InChIKeyHFSGOZTWPIAEMC-IESHXZMMSA-N
MW334.89 g/mol
LogP4.03
Rot. Bonds5

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

N-phenyl-N-[(1S,5R)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride (PubChem CID 118718256) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is N-phenyl-N-[(1S,5R)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-phenyl-N-[(1S,5R)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride
PubChem CID118718256
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC NameN-phenyl-N-[(1S,5R)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride
SMILESC=CCN1[C@@H]2CC[C@H]1CC(N(C(=O)CC)c1ccccc1)C2.Cl
InChIInChI=1S/C19H26N2O.ClH/c1-3-12-20-16-10-11-17(20)14-18(13-16)21(19(22)4-2)15-8-6-5-7-9-15;/h3,5-9,16-18H,1,4,10-14H2,2H3;1H/t16-,17+,18?;
InChIKeyHFSGOZTWPIAEMC-IESHXZMMSA-N
XLogP4.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[(1S,5R)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride?
The IUPAC name of N-phenyl-N-[(1S,5R)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride (CID 118718256) is N-phenyl-N-[(1S,5R)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride.
What is the SMILES notation for N-phenyl-N-[(1S,5R)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride?
The canonical SMILES for N-phenyl-N-[(1S,5R)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride is C=CCN1[C@@H]2CC[C@H]1CC(N(C(=O)CC)c1ccccc1)C2.Cl.
What is the InChIKey of N-phenyl-N-[(1S,5R)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride?
The InChIKey is HFSGOZTWPIAEMC-IESHXZMMSA-N. The full InChI is InChI=1S/C19H26N2O.ClH/c1-3-12-20-16-10-11-17(20)14-18(13-16)21(19(22)4-2)15-8-6-5-7-9-15;/h3,5-9,16-18H,1,4,10-14H2,2H3;1H/t16-,17+,18?;.
What are the key properties of N-phenyl-N-[(1S,5R)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride?
N-phenyl-N-[(1S,5R)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride has a molecular weight of 334.89 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[(1S,5R)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 118718256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).