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

C16H25BrN2O — CID 28228

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-(dipropylamino)acetamide
SMILESCCCN(CCC)CC(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C16H25BrN2O/c1-5-7-19(8-6-2)11-15(20)18-16-12(3)9-14(17)10-13(16)4/h9-10H,5-8,11H2,1-4H3,(H,18,20)
InChIKeyWKKFCBVEZXNVQR-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.13
Rot. Bonds7

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

N-(4-bromo-2,6-dimethylphenyl)-2-(dipropylamino)acetamide (PubChem CID 28228) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-(dipropylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-(dipropylamino)acetamide
PubChem CID28228
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-(dipropylamino)acetamide
SMILESCCCN(CCC)CC(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C16H25BrN2O/c1-5-7-19(8-6-2)11-15(20)18-16-12(3)9-14(17)10-13(16)4/h9-10H,5-8,11H2,1-4H3,(H,18,20)
InChIKeyWKKFCBVEZXNVQR-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.13
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-(dipropylamino)acetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-(dipropylamino)acetamide (CID 28228) is N-(4-bromo-2,6-dimethylphenyl)-2-(dipropylamino)acetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-(dipropylamino)acetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-(dipropylamino)acetamide is CCCN(CCC)CC(=O)Nc1c(C)cc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-(dipropylamino)acetamide?
The InChIKey is WKKFCBVEZXNVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-5-7-19(8-6-2)11-15(20)18-16-12(3)9-14(17)10-13(16)4/h9-10H,5-8,11H2,1-4H3,(H,18,20).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-(dipropylamino)acetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-(dipropylamino)acetamide has a molecular weight of 341.29 g/mol, XLogP of 4.13, 7 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-(dipropylamino)acetamide is sourced from PubChem (CID 28228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).