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

C14H21BrN2O — CID 28234

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C14H21BrN2O/c1-5-17(6-2)9-13(18)16-14-10(3)7-12(15)8-11(14)4/h7-8H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyYMEDJSMNCHSIMY-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.35
Rot. Bonds5

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

N-(4-bromo-2,6-dimethylphenyl)-2-(diethylamino)acetamide (PubChem CID 28234) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-(diethylamino)acetamide
PubChem CID28234
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C14H21BrN2O/c1-5-17(6-2)9-13(18)16-14-10(3)7-12(15)8-11(14)4/h7-8H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyYMEDJSMNCHSIMY-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Lidocaine
CID 3676
Monoethylglycinexylidide
CID 24415
Lidocaine Hydrochloride
CID 6314
Etidocaine
CID 37497
Lidocaine hydrochloride monohydrate
CID 16219577
Trimecaine
CID 12028
Cvt-2738
CID 2608606
Pyrrocaine
CID 24361
2-((2,6-Dimethylphenyl)amino)-N,N,N-triethyl-2-oxoethanaminium
CID 3925
QX-314 bromide
CID 9884487
Mesocaine
CID 2843496
Denatonium
CID 15488

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-(diethylamino)acetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-(diethylamino)acetamide (CID 28234) is N-(4-bromo-2,6-dimethylphenyl)-2-(diethylamino)acetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-(diethylamino)acetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1c(C)cc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-(diethylamino)acetamide?
The InChIKey is YMEDJSMNCHSIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-5-17(6-2)9-13(18)16-14-10(3)7-12(15)8-11(14)4/h7-8H,5-6,9H2,1-4H3,(H,16,18).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-(diethylamino)acetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-(diethylamino)acetamide has a molecular weight of 313.24 g/mol, XLogP of 3.35, 5 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-(diethylamino)acetamide is sourced from PubChem (CID 28234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).