3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide

C15H20BrNO3 — CID 102684243

IUPAC3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCOc1ccc(Br)cc1)N(CCO)C1CCC1
InChIInChI=1S/C15H20BrNO3/c16-12-4-6-14(7-5-12)20-11-8-15(19)17(9-10-18)13-2-1-3-13/h4-7,13,18H,1-3,8-11H2
InChIKeyBYPHHRLKSWCBDU-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.59
Rot. Bonds7

About 3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide

3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide (PubChem CID 102684243) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
PubChem CID102684243
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCOc1ccc(Br)cc1)N(CCO)C1CCC1
InChIInChI=1S/C15H20BrNO3/c16-12-4-6-14(7-5-12)20-11-8-15(19)17(9-10-18)13-2-1-3-13/h4-7,13,18H,1-3,8-11H2
InChIKeyBYPHHRLKSWCBDU-UHFFFAOYSA-N
XLogP2.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide
CID 43576564
2-(4-bromophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866038
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
N-cyclobutyl-N-(2-hydroxyethyl)-2-phenoxyacetamide
CID 102684381
N-cyclobutyl-3-(3-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 102866340
N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine
CID 5262176
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
3-(2-chlorophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576626
3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102861214
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide
CID 60655942

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide (CID 102684243) is 3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide is O=C(CCOc1ccc(Br)cc1)N(CCO)C1CCC1.
What is the InChIKey of 3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is BYPHHRLKSWCBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-12-4-6-14(7-5-12)20-11-8-15(19)17(9-10-18)13-2-1-3-13/h4-7,13,18H,1-3,8-11H2.
What are the key properties of 3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide?
3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 342.23 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 102684243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).