3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide

C11H15BrN2O3 — CID 54935342

IUPAC3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(Br)c(C(N)CC(N)=O)cc1OC
InChIInChI=1S/C11H15BrN2O3/c1-16-9-3-6(8(13)5-11(14)15)7(12)4-10(9)17-2/h3-4,8H,5,13H2,1-2H3,(H2,14,15)
InChIKeyBREVMFPBIJQUAL-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.34
Rot. Bonds5

About 3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide

3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide (PubChem CID 54935342) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide
PubChem CID54935342
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(Br)c(C(N)CC(N)=O)cc1OC
InChIInChI=1S/C11H15BrN2O3/c1-16-9-3-6(8(13)5-11(14)15)7(12)4-10(9)17-2/h3-4,8H,5,13H2,1-2H3,(H2,14,15)
InChIKeyBREVMFPBIJQUAL-UHFFFAOYSA-N
XLogP1.34
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide
CID 62941461
methyl (3R)-3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanoate
CID 61149652
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
(2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171198902
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
ethyl (3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)propanoate;hydrochloride
CID 171214738
ethyl 2-(2-bromo-4,5-dimethoxyphenyl)-2-chloroacetate
CID 62224558
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
ethyl (3R)-3-amino-3-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171239121
(1R)-1-(2-bromo-4,5-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171198881
(3S)-3-amino-3-(2,3,4-trimethoxyphenyl)propanamide
CID 29059945
3-amino-3-(2,3-dimethoxyphenyl)propanamide
CID 43147937

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide (CID 54935342) is 3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide is COc1cc(Br)c(C(N)CC(N)=O)cc1OC.
What is the InChIKey of 3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide?
The InChIKey is BREVMFPBIJQUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-16-9-3-6(8(13)5-11(14)15)7(12)4-10(9)17-2/h3-4,8H,5,13H2,1-2H3,(H2,14,15).
What are the key properties of 3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide?
3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide has a molecular weight of 303.16 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 54935342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).