2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide

C13H17BrN2O3 — CID 99979824

IUPAC2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide
SMILESNC(=O)CN1CCO[C@@H](COc2cccc(Br)c2)C1
InChIInChI=1S/C13H17BrN2O3/c14-10-2-1-3-11(6-10)19-9-12-7-16(4-5-18-12)8-13(15)17/h1-3,6,12H,4-5,7-9H2,(H2,15,17)/t12-/m1/s1
InChIKeyNDOVEIUEQNNUCD-GFCCVEGCSA-N
MW329.19 g/mol
LogP1.01
Rot. Bonds5

About 2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide

2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide (PubChem CID 99979824) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide
PubChem CID99979824
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide
SMILESNC(=O)CN1CCO[C@@H](COc2cccc(Br)c2)C1
InChIInChI=1S/C13H17BrN2O3/c14-10-2-1-3-11(6-10)19-9-12-7-16(4-5-18-12)8-13(15)17/h1-3,6,12H,4-5,7-9H2,(H2,15,17)/t12-/m1/s1
InChIKeyNDOVEIUEQNNUCD-GFCCVEGCSA-N
XLogP1.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine
CID 99979834
2-[(2S)-2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979640
2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide
CID 99979731
2-[(2R)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979589
methyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate
CID 99979862
3-[(4-ethylmorpholin-2-yl)methoxy]phenol
CID 79171875
[3-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166497
ethyl 2-[(2S)-2-[(3,5-dimethylphenoxy)methyl]morpholin-4-yl]acetate
CID 99979655
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366
methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate
CID 79822600
ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567699
2-[2-(4-bromophenyl)morpholin-4-yl]acetamide
CID 47410373

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide?
The IUPAC name of 2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide (CID 99979824) is 2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide.
What is the SMILES notation for 2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide?
The canonical SMILES for 2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide is NC(=O)CN1CCO[C@@H](COc2cccc(Br)c2)C1.
What is the InChIKey of 2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide?
The InChIKey is NDOVEIUEQNNUCD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c14-10-2-1-3-11(6-10)19-9-12-7-16(4-5-18-12)8-13(15)17/h1-3,6,12H,4-5,7-9H2,(H2,15,17)/t12-/m1/s1.
What are the key properties of 2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide?
2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide has a molecular weight of 329.19 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 99979824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).