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

C15H21BrN2O3 — CID 1287636

IUPAC2-(4-bromo-3-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(OCC(=O)NCCN2CCOCC2)ccc1Br
InChIInChI=1S/C15H21BrN2O3/c1-12-10-13(2-3-14(12)16)21-11-15(19)17-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9,11H2,1H3,(H,17,19)
InChIKeyGAZBNXDQGJAXMV-UHFFFAOYSA-N
MW357.25 g/mol
LogP1.58
Rot. Bonds6

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

2-(4-bromo-3-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 1287636) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID1287636
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(OCC(=O)NCCN2CCOCC2)ccc1Br
InChIInChI=1S/C15H21BrN2O3/c1-12-10-13(2-3-14(12)16)21-11-15(19)17-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9,11H2,1H3,(H,17,19)
InChIKeyGAZBNXDQGJAXMV-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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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2106768
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(3-methylphenoxy)acetamide
CID 4792390
2-(3,5-dimethylphenoxy)-N-[2-(morpholin-4-yl)ethyl]acetamide
CID 650107
2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 803237
2-(3,4-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 807900
2-(2-Bromo-4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 868012
2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 1101341
1-[(2-Bromo-4-isopropylphenoxy)acetyl]-4-methylpiperazine
CID 1318258
1-(4-Acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone
CID 2403087
2-(4-bromo-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1369516
N-benzyl-2-(4-bromo-3-methylphenoxy)-N-methylacetamide
CID 718175
2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide
CID 803209

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide (CID 1287636) is 2-(4-bromo-3-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide is Cc1cc(OCC(=O)NCCN2CCOCC2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is GAZBNXDQGJAXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-12-10-13(2-3-14(12)16)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-3-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
2-(4-bromo-3-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-3-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 1287636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).