2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide

C13H17Br3N2O2 — CID 79389627

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide
SMILESCN(CC(=O)Nc1c(Br)cc(Br)cc1Br)CC(C)(C)O
InChIInChI=1S/C13H17Br3N2O2/c1-13(2,20)7-18(3)6-11(19)17-12-9(15)4-8(14)5-10(12)16/h4-5,20H,6-7H2,1-3H3,(H,17,19)
InChIKeyYRIYNBVQTLCQOI-UHFFFAOYSA-N
MW473.00 g/mol
LogP3.62
Rot. Bonds5

About 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide (PubChem CID 79389627) has the molecular formula C13H17Br3N2O2 and a molecular weight of 473.00 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide
PubChem CID79389627
Molecular FormulaC13H17Br3N2O2
Molecular Weight473.00 g/mol
Exact Mass469.88
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide
SMILESCN(CC(=O)Nc1c(Br)cc(Br)cc1Br)CC(C)(C)O
InChIInChI=1S/C13H17Br3N2O2/c1-13(2,20)7-18(3)6-11(19)17-12-9(15)4-8(14)5-10(12)16/h4-5,20H,6-7H2,1-3H3,(H,17,19)
InChIKeyYRIYNBVQTLCQOI-UHFFFAOYSA-N
XLogP3.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.00
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964623
N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964685
N-(2-bromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964436
N-(3-fluoro-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964620
4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide
CID 78964466
N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 79385071
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 78964549
6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide
CID 65292805
N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 79380817
2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-N-(2,4,6-tribromophenyl)acetamide
CID 98083173
4-hydroxy-N-(2,4,6-tribromophenyl)pentanamide
CID 79201496
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 78964193

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide (CID 79389627) is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide is CN(CC(=O)Nc1c(Br)cc(Br)cc1Br)CC(C)(C)O.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide?
The InChIKey is YRIYNBVQTLCQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br3N2O2/c1-13(2,20)7-18(3)6-11(19)17-12-9(15)4-8(14)5-10(12)16/h4-5,20H,6-7H2,1-3H3,(H,17,19).
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide?
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide has a molecular weight of 473.00 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide is sourced from PubChem (CID 79389627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).