2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

C17H24Br2N2O3 — CID 60594057

IUPAC2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCC(C)CN1CCOC(CNC(=O)COc2c(Br)cccc2Br)C1
InChIInChI=1S/C17H24Br2N2O3/c1-12(2)9-21-6-7-23-13(10-21)8-20-16(22)11-24-17-14(18)4-3-5-15(17)19/h3-5,12-13H,6-11H2,1-2H3,(H,20,22)
InChIKeyYNFYBFRJNSGDNY-UHFFFAOYSA-N
MW464.20 g/mol
LogP3.06
Rot. Bonds7

About 2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (PubChem CID 60594057) has the molecular formula C17H24Br2N2O3 and a molecular weight of 464.20 g/mol. Its IUPAC name is 2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
PubChem CID60594057
Molecular FormulaC17H24Br2N2O3
Molecular Weight464.20 g/mol
Exact Mass462.02
IUPAC Name2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCC(C)CN1CCOC(CNC(=O)COc2c(Br)cccc2Br)C1
InChIInChI=1S/C17H24Br2N2O3/c1-12(2)9-21-6-7-23-13(10-21)8-20-16(22)11-24-17-14(18)4-3-5-15(17)19/h3-5,12-13H,6-11H2,1-2H3,(H,20,22)
InChIKeyYNFYBFRJNSGDNY-UHFFFAOYSA-N
XLogP3.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684440
2-(4-benzoylphenoxy)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 8511173
2-(4-cyanophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51214759
2-(5-methyl-2-propan-2-ylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684442
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide
CID 100672511
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55602923
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 112802028
3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 35363430
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The IUPAC name of 2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (CID 60594057) is 2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is CC(C)CN1CCOC(CNC(=O)COc2c(Br)cccc2Br)C1.
What is the InChIKey of 2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The InChIKey is YNFYBFRJNSGDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Br2N2O3/c1-12(2)9-21-6-7-23-13(10-21)8-20-16(22)11-24-17-14(18)4-3-5-15(17)19/h3-5,12-13H,6-11H2,1-2H3,(H,20,22).
What are the key properties of 2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide has a molecular weight of 464.20 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 60594057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).