2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide

C15H22BrNO3 — CID 103940873

IUPAC2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
SMILESCC(C)(C)C(CCO)NC(=O)COc1cccc(Br)c1
InChIInChI=1S/C15H22BrNO3/c1-15(2,3)13(7-8-18)17-14(19)10-20-12-6-4-5-11(16)9-12/h4-6,9,13,18H,7-8,10H2,1-3H3,(H,17,19)
InChIKeyVOSUPFWUIYWQIO-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.74
Rot. Bonds6

About 2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide

2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide (PubChem CID 103940873) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
PubChem CID103940873
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
SMILESCC(C)(C)C(CCO)NC(=O)COc1cccc(Br)c1
InChIInChI=1S/C15H22BrNO3/c1-15(2,3)13(7-8-18)17-14(19)10-20-12-6-4-5-11(16)9-12/h4-6,9,13,18H,7-8,10H2,1-3H3,(H,17,19)
InChIKeyVOSUPFWUIYWQIO-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide
CID 103940933
2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941084
2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103782426
2-[[2-(3-bromophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 61243301
(2R)-2-[[2-(3-bromophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103926914
2-(2,6-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941067
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 3530351
2-[[2-(3-bromophenoxy)acetyl]amino]butanoic acid
CID 43387178
2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide
CID 42280281
2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106352989
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
2-(3-bromophenoxy)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18196815

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide (CID 103940873) is 2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide is CC(C)(C)C(CCO)NC(=O)COc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The InChIKey is VOSUPFWUIYWQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-15(2,3)13(7-8-18)17-14(19)10-20-12-6-4-5-11(16)9-12/h4-6,9,13,18H,7-8,10H2,1-3H3,(H,17,19).
What are the key properties of 2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide has a molecular weight of 344.25 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide is sourced from PubChem (CID 103940873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).