N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide

C14H21BrN2O2 — CID 78964685

IUPACN-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
SMILESCc1cc(NC(=O)CN(C)CC(C)(C)O)ccc1Br
InChIInChI=1S/C14H21BrN2O2/c1-10-7-11(5-6-12(10)15)16-13(18)8-17(4)9-14(2,3)19/h5-7,19H,8-9H2,1-4H3,(H,16,18)
InChIKeyNHCMDXJCLXMXGW-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.40
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide

N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide (PubChem CID 78964685) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
PubChem CID78964685
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
SMILESCc1cc(NC(=O)CN(C)CC(C)(C)O)ccc1Br
InChIInChI=1S/C14H21BrN2O2/c1-10-7-11(5-6-12(10)15)16-13(18)8-17(4)9-14(2,3)19/h5-7,19H,8-9H2,1-4H3,(H,16,18)
InChIKeyNHCMDXJCLXMXGW-UHFFFAOYSA-N
XLogP2.40
TPSA52.57 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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962132
N-(3-fluoro-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964620
2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 55103559
N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide
CID 109006163
N-(4-bromo-3-methylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 34431719
N-(2,6-dibromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964623
N-(2-bromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964436
N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 2438529
N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 79385071
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide
CID 79389627
N-(4-bromo-3-methylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 27221148
4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide
CID 78964466

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide (CID 78964685) is N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide is Cc1cc(NC(=O)CN(C)CC(C)(C)O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The InChIKey is NHCMDXJCLXMXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10-7-11(5-6-12(10)15)16-13(18)8-17(4)9-14(2,3)19/h5-7,19H,8-9H2,1-4H3,(H,16,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide has a molecular weight of 329.24 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide is sourced from PubChem (CID 78964685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).