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

C14H20BrNO4 — CID 103876915

IUPAC3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
SMILESCOCC(O)CCNC(=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO4/c1-19-10-12(17)6-8-16-14(18)7-9-20-13-4-2-11(15)3-5-13/h2-5,12,17H,6-10H2,1H3,(H,16,18)
InChIKeySIMISNSERRXRKA-UHFFFAOYSA-N
MW346.22 g/mol
LogP1.73
Rot. Bonds9

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

3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide (PubChem CID 103876915) has the molecular formula C14H20BrNO4 and a molecular weight of 346.22 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
PubChem CID103876915
Molecular FormulaC14H20BrNO4
Molecular Weight346.22 g/mol
Exact Mass345.06
IUPAC Name3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
SMILESCOCC(O)CCNC(=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO4/c1-19-10-12(17)6-8-16-14(18)7-9-20-13-4-2-11(15)3-5-13/h2-5,12,17H,6-10H2,1H3,(H,16,18)
InChIKeySIMISNSERRXRKA-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

4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide
CID 103877004
N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide
CID 103877644
N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide
CID 103876749
3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876884
3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877668
3-(4-bromophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43427786
N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide
CID 114163410
4-hydroxy-N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 106248553
3-(4-aminophenoxy)-N-(3-hydroxybutyl)propanamide
CID 64929581
(E)-3-(4-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)prop-2-enamide
CID 103876818
2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877038
1-(4-bromophenoxy)-4-methoxybutan-2-ol
CID 117236778

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The IUPAC name of 3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide (CID 103876915) is 3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide.
What is the SMILES notation for 3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The canonical SMILES for 3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide is COCC(O)CCNC(=O)CCOc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The InChIKey is SIMISNSERRXRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO4/c1-19-10-12(17)6-8-16-14(18)7-9-20-13-4-2-11(15)3-5-13/h2-5,12,17H,6-10H2,1H3,(H,16,18).
What are the key properties of 3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide?
3-(4-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-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide is sourced from PubChem (CID 103876915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).