3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide

C17H25BrN2O2 — CID 78771852

IUPAC3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
SMILESCC(C)(CNC(=O)CCc1cccc(Br)c1)N1CCOCC1
InChIInChI=1S/C17H25BrN2O2/c1-17(2,20-8-10-22-11-9-20)13-19-16(21)7-6-14-4-3-5-15(18)12-14/h3-5,12H,6-11,13H2,1-2H3,(H,19,21)
InChIKeyWZXKGHHCVJHHHH-UHFFFAOYSA-N
MW369.30 g/mol
LogP2.61
Rot. Bonds6

About 3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide

3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide (PubChem CID 78771852) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
PubChem CID78771852
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Name3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
SMILESCC(C)(CNC(=O)CCc1cccc(Br)c1)N1CCOCC1
InChIInChI=1S/C17H25BrN2O2/c1-17(2,20-8-10-22-11-9-20)13-19-16(21)7-6-14-4-3-5-15(18)12-14/h3-5,12H,6-11,13H2,1-2H3,(H,19,21)
InChIKeyWZXKGHHCVJHHHH-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)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

3-(3-bromophenoxy)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 51146623
1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79045436
3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide
CID 110414094
3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79038684
2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 114371891
2-[[3-(3-bromophenyl)propanoylamino]methyl]-2-ethylbutanoic acid
CID 115429457
4-[[3-(3-bromophenyl)propanoylamino]methyl]oxane-4-carboxylic acid
CID 120543231
4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
CID 17488295
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide
CID 112504915
2-(benzylcarbamoylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 30905093
2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 46491153

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide (CID 78771852) is 3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide is CC(C)(CNC(=O)CCc1cccc(Br)c1)N1CCOCC1.
What is the InChIKey of 3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
The InChIKey is WZXKGHHCVJHHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-17(2,20-8-10-22-11-9-20)13-19-16(21)7-6-14-4-3-5-15(18)12-14/h3-5,12H,6-11,13H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide?
3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide has a molecular weight of 369.30 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 78771852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).