2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide

C16H23BrN2O3 — CID 5146954

IUPAC2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1ccc(OCC(=O)NCCCN2CCOCC2)c(Br)c1
InChIInChI=1S/C16H23BrN2O3/c1-13-3-4-15(14(17)11-13)22-12-16(20)18-5-2-6-19-7-9-21-10-8-19/h3-4,11H,2,5-10,12H2,1H3,(H,18,20)
InChIKeyMLTSWTCGYUMFEL-UHFFFAOYSA-N
MW371.28 g/mol
LogP1.97
Rot. Bonds7

About 2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide

2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 5146954) has the molecular formula C16H23BrN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID5146954
Molecular FormulaC16H23BrN2O3
Molecular Weight371.28 g/mol
Exact Mass370.09
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1ccc(OCC(=O)NCCCN2CCOCC2)c(Br)c1
InChIInChI=1S/C16H23BrN2O3/c1-13-3-4-15(14(17)11-13)22-12-16(20)18-5-2-6-19-7-9-21-10-8-19/h3-4,11H,2,5-10,12H2,1H3,(H,18,20)
InChIKeyMLTSWTCGYUMFEL-UHFFFAOYSA-N
XLogP1.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 78784092
2-(2-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 112977303
4-(2-bromo-4-methylphenoxy)-N-(2-morpholin-4-ylethyl)butan-1-amine;oxalic acid
CID 2976608
1-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8626095
2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24582308
2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30532507
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79037091
2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]ethyl-dimethylazanium
CID 2184742
2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 51159372
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-(1-methylindol-4-yl)oxy-N-(3-morpholin-4-ylpropyl)acetamide
CID 110204153
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-N-(3-morpholin-4-ylpropyl)acetamide
CID 110496764

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide (CID 5146954) is 2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide is Cc1ccc(OCC(=O)NCCCN2CCOCC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is MLTSWTCGYUMFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3/c1-13-3-4-15(14(17)11-13)22-12-16(20)18-5-2-6-19-7-9-21-10-8-19/h3-4,11H,2,5-10,12H2,1H3,(H,18,20).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 371.28 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 5146954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).