2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide

C15H22BrNO3 — CID 61247071

IUPAC2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(CO)NC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO3/c1-10(2)8-13(9-18)17-15(19)11(3)20-14-6-4-12(16)5-7-14/h4-7,10-11,13,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyPGIAZBZCDFLYKT-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.74
Rot. Bonds7

About 2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide

2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide (PubChem CID 61247071) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
PubChem CID61247071
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(CO)NC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO3/c1-10(2)8-13(9-18)17-15(19)11(3)20-14-6-4-12(16)5-7-14/h4-7,10-11,13,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyPGIAZBZCDFLYKT-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-[2-(4-bromophenoxy)propanoylamino]propanoic acid
CID 18837935
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132666166
3-[2-(4-bromophenoxy)propanoylamino]butanoic acid
CID 43240759
2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61246472
ethyl N-[1-[2-(4-bromophenoxy)propanoylamino]-4-methylpentan-2-yl]carbamate
CID 55655114
N-(1-amino-4-methylpentan-2-yl)-2-phenoxypropanamide
CID 119588476
(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide
CID 7930955
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
(2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 26218057
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103
2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315312

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide (CID 61247071) is 2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide is CC(C)CC(CO)NC(=O)C(C)Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The InChIKey is PGIAZBZCDFLYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-10(2)8-13(9-18)17-15(19)11(3)20-14-6-4-12(16)5-7-14/h4-7,10-11,13,18H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide has a molecular weight of 344.25 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide is sourced from PubChem (CID 61247071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).