N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide

C15H22BrNO2 — CID 113276407

IUPACN-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide
SMILESCCC(CCBr)CNC(=O)Cc1ccccc1OC
InChIInChI=1S/C15H22BrNO2/c1-3-12(8-9-16)11-17-15(18)10-13-6-4-5-7-14(13)19-2/h4-7,12H,3,8-11H2,1-2H3,(H,17,18)
InChIKeyOUPFPUBWAXXWLW-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.17
Rot. Bonds8

About N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide

N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide (PubChem CID 113276407) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide
PubChem CID113276407
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide
SMILESCCC(CCBr)CNC(=O)Cc1ccccc1OC
InChIInChI=1S/C15H22BrNO2/c1-3-12(8-9-16)11-17-15(18)10-13-6-4-5-7-14(13)19-2/h4-7,12H,3,8-11H2,1-2H3,(H,17,18)
InChIKeyOUPFPUBWAXXWLW-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
N-[(2R)-2-(ethylamino)propyl]-2-(2-methoxyphenyl)acetamide
CID 120652529
N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide
CID 114317561
(2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
CID 107832779
2-(2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829739
N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
CID 75369473
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide
CID 103770198
3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid
CID 81066007
N-(2-ethylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115612569
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
N-(4-bromo-2-ethylbutyl)-2,6-dihydroxybenzamide
CID 107691145

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide (CID 113276407) is N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide is CCC(CCBr)CNC(=O)Cc1ccccc1OC.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is OUPFPUBWAXXWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-12(8-9-16)11-17-15(18)10-13-6-4-5-7-14(13)19-2/h4-7,12H,3,8-11H2,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide?
N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 328.25 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 113276407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).