3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide

C14H20BrNO4 — CID 115902504

IUPAC3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCN(CCO)C(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO4/c1-19-10-7-16(6-8-17)14(18)5-9-20-13-4-2-3-12(15)11-13/h2-4,11,17H,5-10H2,1H3
InChIKeyCXZHDSPWXZBMCC-UHFFFAOYSA-N
MW346.22 g/mol
LogP1.69
Rot. Bonds9

About 3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide

3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide (PubChem CID 115902504) has the molecular formula C14H20BrNO4 and a molecular weight of 346.22 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
PubChem CID115902504
Molecular FormulaC14H20BrNO4
Molecular Weight346.22 g/mol
Exact Mass345.06
IUPAC Name3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCN(CCO)C(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO4/c1-19-10-7-16(6-8-17)14(18)5-9-20-13-4-2-3-12(15)11-13/h2-4,11,17H,5-10H2,1H3
InChIKeyCXZHDSPWXZBMCC-UHFFFAOYSA-N
XLogP1.69
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide
CID 55348926
2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902380
ethyl 2-[3-(3-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012247
N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide
CID 60653323
2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902198
3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79381655
N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide
CID 119582539
2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide
CID 60694299
N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 103915390
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
2-(3-bromophenoxy)-N,N-dipropylacetamide
CID 112977337
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide (CID 115902504) is 3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide is COCCN(CCO)C(=O)CCOc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide?
The InChIKey is CXZHDSPWXZBMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO4/c1-19-10-7-16(6-8-17)14(18)5-9-20-13-4-2-3-12(15)11-13/h2-4,11,17H,5-10H2,1H3.
What are the key properties of 3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide?
3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide has a molecular weight of 346.22 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115902504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).