2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide

C16H18BrNO2 — CID 3989542

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H18BrNO2/c1-11(2)9-18-16(19)10-20-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyYIWKJGXLHLLPGE-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.75
Rot. Bonds5

About 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide

2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide (PubChem CID 3989542) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
PubChem CID3989542
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H18BrNO2/c1-11(2)9-18-16(19)10-20-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyYIWKJGXLHLLPGE-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)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

N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 119996539
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N-ethylacetamide
CID 9231222
2-(6-bromonaphthalen-2-yl)oxy-N-(3,5-dimethylphenyl)acetamide
CID 7786804
2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771067
2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23405136
2-(6-bromonaphthalen-2-yl)oxy-N-[(4-chlorophenyl)methyl]acetamide
CID 7786789
2-naphthalen-2-yloxy-N-[2-[(2-naphthalen-2-yloxyacetyl)amino]propyl]acetamide
CID 3635526
2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane
CID 90980292
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829879
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 62393116
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 9231224

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide (CID 3989542) is 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide?
The InChIKey is YIWKJGXLHLLPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11(2)9-18-16(19)10-20-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,11H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide?
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide has a molecular weight of 336.23 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 3989542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).