N-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide

C18H29BrN2O — CID 28235

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide
SMILESCCCCN(CCCC)CC(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C18H29BrN2O/c1-5-7-9-21(10-8-6-2)13-17(22)20-18-14(3)11-16(19)12-15(18)4/h11-12H,5-10,13H2,1-4H3,(H,20,22)
InChIKeyXOHBSQBYIWTWOQ-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.91
Rot. Bonds9

About N-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide

N-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide (PubChem CID 28235) has the molecular formula C18H29BrN2O and a molecular weight of 369.35 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide
PubChem CID28235
Molecular FormulaC18H29BrN2O
Molecular Weight369.35 g/mol
Exact Mass368.15
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide
SMILESCCCCN(CCCC)CC(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C18H29BrN2O/c1-5-7-9-21(10-8-6-2)13-17(22)20-18-14(3)11-16(19)12-15(18)4/h11-12H,5-10,13H2,1-4H3,(H,20,22)
InChIKeyXOHBSQBYIWTWOQ-UHFFFAOYSA-N
XLogP4.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide (CID 28235) is N-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide is CCCCN(CCCC)CC(=O)Nc1c(C)cc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide?
The InChIKey is XOHBSQBYIWTWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2O/c1-5-7-9-21(10-8-6-2)13-17(22)20-18-14(3)11-16(19)12-15(18)4/h11-12H,5-10,13H2,1-4H3,(H,20,22).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide has a molecular weight of 369.35 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide is sourced from PubChem (CID 28235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).