3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide

C13H19BrN2O2 — CID 115154641

IUPAC3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(Br)cc1CNC(=O)C(C)(C)CN
InChIInChI=1S/C13H19BrN2O2/c1-13(2,8-15)12(17)16-7-9-6-10(14)4-5-11(9)18-3/h4-6H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyBQGWGYPONJGFDO-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.06
Rot. Bonds5

About 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide

3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide (PubChem CID 115154641) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide
PubChem CID115154641
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(Br)cc1CNC(=O)C(C)(C)CN
InChIInChI=1S/C13H19BrN2O2/c1-13(2,8-15)12(17)16-7-9-6-10(14)4-5-11(9)18-3/h4-6H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyBQGWGYPONJGFDO-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 115165713
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679
N-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 49172929
ethyl 2-[(5-bromo-2-methoxyphenyl)methylamino]-2-oxoacetate
CID 115141965
2-[(5-bromo-2-methoxyphenyl)methylamino]ethylurea
CID 83111448
N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide
CID 115172151
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
4-[(5-bromo-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 115163690
N-[(5-bromo-2-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167838
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725313
2-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 119187587
5-bromo-2-methoxybenzonitrile;tert-butyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 159150361

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide (CID 115154641) is 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide is COc1ccc(Br)cc1CNC(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide?
The InChIKey is BQGWGYPONJGFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-13(2,8-15)12(17)16-7-9-6-10(14)4-5-11(9)18-3/h4-6H,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide?
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide has a molecular weight of 315.21 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 115154641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).