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

C15H22BrNO3 — CID 103941084

IUPAC2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
SMILESCC(C)(C)C(CCO)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO3/c1-15(2,3)13(8-9-18)17-14(19)10-20-12-6-4-11(16)5-7-12/h4-7,13,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyDJNRSGNMHGRERD-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.74
Rot. Bonds6

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

2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide (PubChem CID 103941084) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
PubChem CID103941084
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
SMILESCC(C)(C)C(CCO)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO3/c1-15(2,3)13(8-9-18)17-14(19)10-20-12-6-4-11(16)5-7-12/h4-7,13,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyDJNRSGNMHGRERD-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103940873
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide
CID 103940933
(2S)-2-[[2-(4-bromophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 114004782
2-(2,6-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941067
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106352989
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
2-(4-bromophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103798879
2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048719
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide (CID 103941084) is 2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide is CC(C)(C)C(CCO)NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The InChIKey is DJNRSGNMHGRERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-15(2,3)13(8-9-18)17-14(19)10-20-12-6-4-11(16)5-7-12/h4-7,13,18H,8-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
2-(4-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-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide is sourced from PubChem (CID 103941084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).