3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide

C14H20BrNO4 — CID 103876884

IUPAC3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
SMILESCOCC(O)CCNC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO4/c1-19-10-12(17)5-7-16-14(18)6-8-20-13-4-2-3-11(15)9-13/h2-4,9,12,17H,5-8,10H2,1H3,(H,16,18)
InChIKeyBYFVKGWEGLLPPP-UHFFFAOYSA-N
MW346.22 g/mol
LogP1.73
Rot. Bonds9

About 3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide

3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide (PubChem CID 103876884) has the molecular formula C14H20BrNO4 and a molecular weight of 346.22 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
PubChem CID103876884
Molecular FormulaC14H20BrNO4
Molecular Weight346.22 g/mol
Exact Mass345.06
IUPAC Name3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
SMILESCOCC(O)CCNC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO4/c1-19-10-12(17)5-7-16-14(18)6-8-20-13-4-2-3-11(15)9-13/h2-4,9,12,17H,5-8,10H2,1H3,(H,16,18)
InChIKeyBYFVKGWEGLLPPP-UHFFFAOYSA-N
XLogP1.73
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876915
N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide
CID 103876749
2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877038
3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861618
4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide
CID 103877004
3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877668
N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide
CID 103877644
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
CID 115612621
2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
CID 120987025
N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide
CID 114163410
4-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxybutanamide
CID 120590045

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide (CID 103876884) is 3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide is COCC(O)CCNC(=O)CCOc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The InChIKey is BYFVKGWEGLLPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO4/c1-19-10-12(17)5-7-16-14(18)6-8-20-13-4-2-3-11(15)9-13/h2-4,9,12,17H,5-8,10H2,1H3,(H,16,18).
What are the key properties of 3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide?
3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide has a molecular weight of 346.22 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide is sourced from PubChem (CID 103876884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).