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

C15H23BrN2O2 — CID 78962132

IUPACN-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)c(C)c1)CC(C)(C)O
InChIInChI=1S/C15H23BrN2O2/c1-5-18(10-15(3,4)20)9-14(19)17-12-6-7-13(16)11(2)8-12/h6-8,20H,5,9-10H2,1-4H3,(H,17,19)
InChIKeyUBXMPOXGPYLINA-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.79
Rot. Bonds6

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

N-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide (PubChem CID 78962132) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
PubChem CID78962132
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)c(C)c1)CC(C)(C)O
InChIInChI=1S/C15H23BrN2O2/c1-5-18(10-15(3,4)20)9-14(19)17-12-6-7-13(16)11(2)8-12/h6-8,20H,5,9-10H2,1-4H3,(H,17,19)
InChIKeyUBXMPOXGPYLINA-UHFFFAOYSA-N
XLogP2.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964685
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-fluorophenyl)acetamide
CID 78962382
N-(3-aminophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384491
N-(3-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962723
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008549
N-(3-acetylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962325
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
N-(2,4-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963407
N-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384794
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79274703
N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide
CID 109006163
N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 111334131

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide (CID 78962132) is N-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide is CCN(CC(=O)Nc1ccc(Br)c(C)c1)CC(C)(C)O.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide?
The InChIKey is UBXMPOXGPYLINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-5-18(10-15(3,4)20)9-14(19)17-12-6-7-13(16)11(2)8-12/h6-8,20H,5,9-10H2,1-4H3,(H,17,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide has a molecular weight of 343.27 g/mol, XLogP of 2.79, 6 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-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide is sourced from PubChem (CID 78962132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).