N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide;hydrochloride

C16H24BrClN2O2 — CID 2902728

IUPACN-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide;hydrochloride
SMILESCc1cc(NC(=O)CCN2CC(C)OC(C)C2)ccc1Br.Cl
InChIInChI=1S/C16H23BrN2O2.ClH/c1-11-8-14(4-5-15(11)17)18-16(20)6-7-19-9-12(2)21-13(3)10-19;/h4-5,8,12-13H,6-7,9-10H2,1-3H3,(H,18,20);1H
InChIKeyFDYJIJRMNHKQGN-UHFFFAOYSA-N
MW391.74 g/mol
LogP3.62
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide;hydrochloride

N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide;hydrochloride (PubChem CID 2902728) has the molecular formula C16H24BrClN2O2 and a molecular weight of 391.74 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide;hydrochloride
PubChem CID2902728
Molecular FormulaC16H24BrClN2O2
Molecular Weight391.74 g/mol
Exact Mass390.07
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide;hydrochloride
SMILESCc1cc(NC(=O)CCN2CC(C)OC(C)C2)ccc1Br.Cl
InChIInChI=1S/C16H23BrN2O2.ClH/c1-11-8-14(4-5-15(11)17)18-16(20)6-7-19-9-12(2)21-13(3)10-19;/h4-5,8,12-13H,6-7,9-10H2,1-3H3,(H,18,20);1H
InChIKeyFDYJIJRMNHKQGN-UHFFFAOYSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.74
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide;hydrochloride?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide;hydrochloride (CID 2902728) is N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide;hydrochloride?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide;hydrochloride is Cc1cc(NC(=O)CCN2CC(C)OC(C)C2)ccc1Br.Cl.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide;hydrochloride?
The InChIKey is FDYJIJRMNHKQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2.ClH/c1-11-8-14(4-5-15(11)17)18-16(20)6-7-19-9-12(2)21-13(3)10-19;/h4-5,8,12-13H,6-7,9-10H2,1-3H3,(H,18,20);1H.
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide;hydrochloride?
N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide;hydrochloride has a molecular weight of 391.74 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 2902728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).