2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide

C15H21BrN2O3 — CID 1328957

IUPAC2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(Br)ccc1OCC(=O)NCCN1CCOCC1
InChIInChI=1S/C15H21BrN2O3/c1-12-10-13(16)2-3-14(12)21-11-15(19)17-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9,11H2,1H3,(H,17,19)
InChIKeyQPVDXURHAJHGPO-UHFFFAOYSA-N
MW357.25 g/mol
LogP1.58
Rot. Bonds6

About 2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide

2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 1328957) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID1328957
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(Br)ccc1OCC(=O)NCCN1CCOCC1
InChIInChI=1S/C15H21BrN2O3/c1-12-10-13(16)2-3-14(12)21-11-15(19)17-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9,11H2,1H3,(H,17,19)
InChIKeyQPVDXURHAJHGPO-UHFFFAOYSA-N
XLogP1.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide (CID 1328957) is 2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide is Cc1cc(Br)ccc1OCC(=O)NCCN1CCOCC1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is QPVDXURHAJHGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-12-10-13(16)2-3-14(12)21-11-15(19)17-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9,11H2,1H3,(H,17,19).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 357.25 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 1328957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).