3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide

C15H22BrNO3 — CID 103861618

IUPAC3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
SMILESCC(CO)CCCNC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C15H22BrNO3/c1-12(11-18)4-3-8-17-15(19)7-9-20-14-6-2-5-13(16)10-14/h2,5-6,10,12,18H,3-4,7-9,11H2,1H3,(H,17,19)
InChIKeyCMPACFWVMUAUKE-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.74
Rot. Bonds9

About 3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide

3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide (PubChem CID 103861618) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
PubChem CID103861618
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
SMILESCC(CO)CCCNC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C15H22BrNO3/c1-12(11-18)4-3-8-17-15(19)7-9-20-14-6-2-5-13(16)10-14/h2,5-6,10,12,18H,3-4,7-9,11H2,1H3,(H,17,19)
InChIKeyCMPACFWVMUAUKE-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861596
3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876884
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
N-[2-(3-bromophenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119746365
3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
CID 115612621
3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861871
3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782567
4-amino-N-[2-(3-bromophenoxy)ethyl]butanamide;hydrochloride
CID 119301997
3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 55588021
3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66178943
3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 55718087

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide (CID 103861618) is 3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide is CC(CO)CCCNC(=O)CCOc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide?
The InChIKey is CMPACFWVMUAUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-12(11-18)4-3-8-17-15(19)7-9-20-14-6-2-5-13(16)10-14/h2,5-6,10,12,18H,3-4,7-9,11H2,1H3,(H,17,19).
What are the key properties of 3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide?
3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide has a molecular weight of 344.25 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide is sourced from PubChem (CID 103861618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).