2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide

C14H21BrN2O2 — CID 79844124

IUPAC2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1c(C)cc(Br)cc1N
InChIInChI=1S/C14H21BrN2O2/c1-5-14(3,4)17-12(18)8-19-13-9(2)6-10(15)7-11(13)16/h6-7H,5,8,16H2,1-4H3,(H,17,18)
InChIKeyCMPLPQINPNOPAH-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.02
Rot. Bonds5

About 2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide

2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 79844124) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
PubChem CID79844124
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1c(C)cc(Br)cc1N
InChIInChI=1S/C14H21BrN2O2/c1-5-14(3,4)17-12(18)8-19-13-9(2)6-10(15)7-11(13)16/h6-7H,5,8,16H2,1-4H3,(H,17,18)
InChIKeyCMPLPQINPNOPAH-UHFFFAOYSA-N
XLogP3.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486138
2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107284240
2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 61486362
2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide
CID 79843874
3-(2-amino-4-bromo-6-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79844343
2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 61063414
2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 112611076
2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide
CID 82915317
methyl 3-(2-amino-4-bromo-6-methylphenoxy)propanoate
CID 79844736
2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 80604720
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 43390532
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N-ethylacetamide
CID 112621650

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide (CID 79844124) is 2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1c(C)cc(Br)cc1N.
What is the InChIKey of 2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is CMPLPQINPNOPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-5-14(3,4)17-12(18)8-19-13-9(2)6-10(15)7-11(13)16/h6-7H,5,8,16H2,1-4H3,(H,17,18).
What are the key properties of 2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 329.24 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 79844124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).