2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide

C12H16BrN3O3 — CID 79842990

IUPAC2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1c(C)cc(Br)cc1N
InChIInChI=1S/C12H16BrN3O3/c1-6-4-8(13)5-9(14)10(6)19-7(2)11(17)16-12(18)15-3/h4-5,7H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyMDMRTVFHPUPVKZ-UHFFFAOYSA-N
MW330.18 g/mol
LogP1.56
Rot. Bonds3

About 2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide

2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide (PubChem CID 79842990) has the molecular formula C12H16BrN3O3 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide
PubChem CID79842990
Molecular FormulaC12H16BrN3O3
Molecular Weight330.18 g/mol
Exact Mass329.04
IUPAC Name2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1c(C)cc(Br)cc1N
InChIInChI=1S/C12H16BrN3O3/c1-6-4-8(13)5-9(14)10(6)19-7(2)11(17)16-12(18)15-3/h4-5,7H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyMDMRTVFHPUPVKZ-UHFFFAOYSA-N
XLogP1.56
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-bromo-6-methylphenoxy)-N-methylpropanamide
CID 79842993
methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate
CID 79842569
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290
2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide
CID 115962935
N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4960970
(2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7382474
2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 16528137
N-(methylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625654
(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide
CID 7817429
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 115961088

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide (CID 79842990) is 2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Oc1c(C)cc(Br)cc1N.
What is the InChIKey of 2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide?
The InChIKey is MDMRTVFHPUPVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3/c1-6-4-8(13)5-9(14)10(6)19-7(2)11(17)16-12(18)15-3/h4-5,7H,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide?
2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide has a molecular weight of 330.18 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromo-6-methylphenoxy)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 79842990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).