(2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide

C16H24BrN2O2+ — CID 9249116

IUPAC(2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)c(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-10-5-6-15(14(17)7-10)18-16(20)13(4)19-8-11(2)21-12(3)9-19/h5-7,11-13H,8-9H2,1-4H3,(H,18,20)/p+1/t11-,12+,13-/m1/s1
InChIKeyINVCWGWCYUKWEO-FRRDWIJNSA-O
MW356.28 g/mol
LogP1.78
Rot. Bonds3

About (2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide

(2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide (PubChem CID 9249116) has the molecular formula C16H24BrN2O2+ and a molecular weight of 356.28 g/mol. Its IUPAC name is (2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
PubChem CID9249116
Molecular FormulaC16H24BrN2O2+
Molecular Weight356.28 g/mol
Exact Mass355.10
IUPAC Name(2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)c(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-10-5-6-15(14(17)7-10)18-16(20)13(4)19-8-11(2)21-12(3)9-19/h5-7,11-13H,8-9H2,1-4H3,(H,18,20)/p+1/t11-,12+,13-/m1/s1
InChIKeyINVCWGWCYUKWEO-FRRDWIJNSA-O
XLogP1.78
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9444070
(2S)-N-(5-chloro-2-methylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 9249124
(2S)-N-(2-bromo-4-methylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 9250247
N-(2-bromo-4-methylphenyl)-2-chloropropanamide
CID 18877665
N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide
CID 81004083
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide
CID 9249008
N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46631156
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356678
2-amino-N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)acetamide
CID 106312006
N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide
CID 1001609
(2R)-2-amino-N-(2-bromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 113353272

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide?
The IUPAC name of (2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide (CID 9249116) is (2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide?
The canonical SMILES for (2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide is Cc1ccc(NC(=O)[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)c(Br)c1.
What is the InChIKey of (2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide?
The InChIKey is INVCWGWCYUKWEO-FRRDWIJNSA-O. The full InChI is InChI=1S/C16H23BrN2O2/c1-10-5-6-15(14(17)7-10)18-16(20)13(4)19-8-11(2)21-12(3)9-19/h5-7,11-13H,8-9H2,1-4H3,(H,18,20)/p+1/t11-,12+,13-/m1/s1.
What are the key properties of (2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide?
(2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide has a molecular weight of 356.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide is sourced from PubChem (CID 9249116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).