3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide

C16H22BrNO2 — CID 103707615

IUPAC3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
SMILESCCOC1CC(NC(=O)c2cccc(Br)c2C)C1(C)C
InChIInChI=1S/C16H22BrNO2/c1-5-20-14-9-13(16(14,3)4)18-15(19)11-7-6-8-12(17)10(11)2/h6-8,13-14H,5,9H2,1-4H3,(H,18,19)
InChIKeyLUASRROQPJJBFD-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.69
Rot. Bonds4

About 3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide

3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide (PubChem CID 103707615) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
PubChem CID103707615
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
SMILESCCOC1CC(NC(=O)c2cccc(Br)c2C)C1(C)C
InChIInChI=1S/C16H22BrNO2/c1-5-20-14-9-13(16(14,3)4)18-15(19)11-7-6-8-12(17)10(11)2/h6-8,13-14H,5,9H2,1-4H3,(H,18,19)
InChIKeyLUASRROQPJJBFD-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide?
The IUPAC name of 3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide (CID 103707615) is 3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide?
The canonical SMILES for 3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide is CCOC1CC(NC(=O)c2cccc(Br)c2C)C1(C)C.
What is the InChIKey of 3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide?
The InChIKey is LUASRROQPJJBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-5-20-14-9-13(16(14,3)4)18-15(19)11-7-6-8-12(17)10(11)2/h6-8,13-14H,5,9H2,1-4H3,(H,18,19).
What are the key properties of 3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide?
3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide has a molecular weight of 340.26 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide is sourced from PubChem (CID 103707615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).