3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide

C15H22BrNO3 — CID 103782567

IUPAC3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
SMILESCC(C)C(CCO)NC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C15H22BrNO3/c1-11(2)14(6-8-18)17-15(19)7-9-20-13-5-3-4-12(16)10-13/h3-5,10-11,14,18H,6-9H2,1-2H3,(H,17,19)
InChIKeyKPBOWKGOXQVTQZ-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.74
Rot. Bonds8

About 3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide

3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide (PubChem CID 103782567) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
PubChem CID103782567
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
SMILESCC(C)C(CCO)NC(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C15H22BrNO3/c1-11(2)14(6-8-18)17-15(19)7-9-20-13-5-3-4-12(16)10-13/h3-5,10-11,14,18H,6-9H2,1-2H3,(H,17,19)
InChIKeyKPBOWKGOXQVTQZ-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

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Related Compounds

2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103782426
(2S)-2-[3-(3-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136254
2-[3-(3-bromophenoxy)propanoylamino]butanedioic acid
CID 78910189
N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
CID 119586507
3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861618
4-(3-bromophenoxy)-N-butan-2-ylbutanamide
CID 112759657
N-(1-iodo-3-methylbutan-2-yl)-3-(3-methylphenoxy)propanamide
CID 107860093
N-(1-aminohexan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
CID 119666096
3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43390558
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132
2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103940873
3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
CID 115612621

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide (CID 103782567) is 3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide is CC(C)C(CCO)NC(=O)CCOc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The InChIKey is KPBOWKGOXQVTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-11(2)14(6-8-18)17-15(19)7-9-20-13-5-3-4-12(16)10-13/h3-5,10-11,14,18H,6-9H2,1-2H3,(H,17,19).
What are the key properties of 3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide has a molecular weight of 344.25 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide is sourced from PubChem (CID 103782567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).