N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide

C15H23BrN2O2 — CID 78964341

IUPACN-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
SMILESCN(CC(=O)N(C)Cc1ccccc1Br)CC(C)(C)O
InChIInChI=1S/C15H23BrN2O2/c1-15(2,20)11-17(3)10-14(19)18(4)9-12-7-5-6-8-13(12)16/h5-8,20H,9-11H2,1-4H3
InChIKeyYTSGGUFIIXTKRK-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.11
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide

N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide (PubChem CID 78964341) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
PubChem CID78964341
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC NameN-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
SMILESCN(CC(=O)N(C)Cc1ccccc1Br)CC(C)(C)O
InChIInChI=1S/C15H23BrN2O2/c1-15(2,20)11-17(3)10-14(19)18(4)9-12-7-5-6-8-13(12)16/h5-8,20H,9-11H2,1-4H3
InChIKeyYTSGGUFIIXTKRK-UHFFFAOYSA-N
XLogP2.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 60987110
N-[(2-bromophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide
CID 111488423
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
2-[[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 17481192
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959
N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide
CID 55102721
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
methyl 3-[(2-bromophenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79619948
2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60691148
N-[(2-bromophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 34866736

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide (CID 78964341) is N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide is CN(CC(=O)N(C)Cc1ccccc1Br)CC(C)(C)O.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide?
The InChIKey is YTSGGUFIIXTKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-15(2,20)11-17(3)10-14(19)18(4)9-12-7-5-6-8-13(12)16/h5-8,20H,9-11H2,1-4H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide?
N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide has a molecular weight of 343.26 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 78964341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).