2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide

C12H17BrN2O2 — CID 64537800

IUPAC2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide
SMILESCC(C)(N)COCC(=O)Nc1ccccc1Br
InChIInChI=1S/C12H17BrN2O2/c1-12(2,14)8-17-7-11(16)15-10-6-4-3-5-9(10)13/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyGDJKVFNCLLKPPA-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.14
Rot. Bonds5

About 2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide

2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide (PubChem CID 64537800) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide
PubChem CID64537800
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide
SMILESCC(C)(N)COCC(=O)Nc1ccccc1Br
InChIInChI=1S/C12H17BrN2O2/c1-12(2,14)8-17-7-11(16)15-10-6-4-3-5-9(10)13/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyGDJKVFNCLLKPPA-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-bromoanilino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate
CID 35987566
2-(2-amino-2-methylpropoxy)-N-benzylacetamide
CID 64537589
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
[2-(2-bromoanilino)-2-oxoethyl] 4-methylsulfinylbenzoate
CID 55368314
N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853
[2-(2-bromoanilino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8946778
[2-(2-bromoanilino)-2-oxoethyl] 3-acetamidopropanoate
CID 7197888
[2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625531
N-(2-bromophenyl)butanamide
CID 732405
3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
CID 28942474
[2-(2-bromoanilino)-2-oxoethyl] 3-methylbenzoate
CID 2563236
[2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555539

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide (CID 64537800) is 2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide is CC(C)(N)COCC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide?
The InChIKey is GDJKVFNCLLKPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-12(2,14)8-17-7-11(16)15-10-6-4-3-5-9(10)13/h3-6H,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide?
2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide has a molecular weight of 301.18 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 64537800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).