2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide

C14H20BrNO3 — CID 103771067

IUPAC2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
SMILESCC(C)CC(O)CNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO3/c1-10(2)7-12(17)8-16-14(18)9-19-13-5-3-11(15)4-6-13/h3-6,10,12,17H,7-9H2,1-2H3,(H,16,18)
InChIKeyLTBDAIGJWLEQNM-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.35
Rot. Bonds7

About 2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide

2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide (PubChem CID 103771067) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
PubChem CID103771067
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
SMILESCC(C)CC(O)CNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO3/c1-10(2)7-12(17)8-16-14(18)9-19-13-5-3-11(15)4-6-13/h3-6,10,12,17H,7-9H2,1-2H3,(H,16,18)
InChIKeyLTBDAIGJWLEQNM-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-2-(4-methoxyphenoxy)acetamide
CID 103771418
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829879
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 3989542
N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822650
N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 103770722
2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 107150626
N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103771540
N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide
CID 103771368
N-[(2R)-2-hydroxypropyl]-2-(4-methoxyphenoxy)acetamide
CID 83032439

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide (CID 103771067) is 2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide is CC(C)CC(O)CNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide?
The InChIKey is LTBDAIGJWLEQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-10(2)7-12(17)8-16-14(18)9-19-13-5-3-11(15)4-6-13/h3-6,10,12,17H,7-9H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide?
2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide has a molecular weight of 330.22 g/mol, XLogP of 2.35, 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-(2-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 103771067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).