2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide

C15H22BrNO3 — CID 111480350

IUPAC2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCC(O)CC(C)(C)CNC(=O)COc1cccc(Br)c1
InChIInChI=1S/C15H22BrNO3/c1-11(18)8-15(2,3)10-17-14(19)9-20-13-6-4-5-12(16)7-13/h4-7,11,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyBGOLGFSXMYYVMF-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.74
Rot. Bonds7

About 2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide

2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide (PubChem CID 111480350) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
PubChem CID111480350
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCC(O)CC(C)(C)CNC(=O)COc1cccc(Br)c1
InChIInChI=1S/C15H22BrNO3/c1-11(18)8-15(2,3)10-17-14(19)9-20-13-6-4-5-12(16)7-13/h4-7,11,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyBGOLGFSXMYYVMF-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-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128
2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111479721
N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide
CID 30764659
2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide
CID 115577661
2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66174959
2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide
CID 42280281
2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480362
2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 8919159
N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119997634
3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66178943
2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502782
(2R)-2-[[2-(3-bromophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103926914

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide (CID 111480350) is 2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide is CC(O)CC(C)(C)CNC(=O)COc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
The InChIKey is BGOLGFSXMYYVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-11(18)8-15(2,3)10-17-14(19)9-20-13-6-4-5-12(16)7-13/h4-7,11,18H,8-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide 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-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide is sourced from PubChem (CID 111480350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).