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

C14H21BrN2O2 — CID 115152172

IUPACN-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCC(C)(C)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-14(2,9-17-13(18)8-16-3)10-5-6-12(19-4)11(15)7-10/h5-7,16H,8-9H2,1-4H3,(H,17,18)
InChIKeyXUDXFTJJPZWBOQ-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.07
Rot. Bonds6

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

N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide (PubChem CID 115152172) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide
PubChem CID115152172
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCC(C)(C)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-14(2,9-17-13(18)8-16-3)10-5-6-12(19-4)11(15)7-10/h5-7,16H,8-9H2,1-4H3,(H,17,18)
InChIKeyXUDXFTJJPZWBOQ-UHFFFAOYSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide
CID 115140275
N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176120
2-(methylamino)-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide
CID 115152154
3-[[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231335
2-(methylamino)-N-(2-methyl-2-phenylpropyl)acetamide
CID 60986486
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119738056
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460450
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152169
N-[2-(4-ethylphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119802083
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide
CID 110442244
1-(3-bromo-4-methoxyphenyl)-3-(methylamino)propan-2-one
CID 116553852

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide (CID 115152172) is N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide is CNCC(=O)NCC(C)(C)c1ccc(OC)c(Br)c1.
What is the InChIKey of N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide?
The InChIKey is XUDXFTJJPZWBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-14(2,9-17-13(18)8-16-3)10-5-6-12(19-4)11(15)7-10/h5-7,16H,8-9H2,1-4H3,(H,17,18).
What are the key properties of N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide?
N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide has a molecular weight of 329.24 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide is sourced from PubChem (CID 115152172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).