2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C21H26BrNO4 — CID 92671676

IUPAC2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC
InChIInChI=1S/C21H26BrNO4/c1-21(2,3)15-7-9-17(16(22)11-15)27-13-20(24)23-12-14-6-8-18(25-4)19(10-14)26-5/h6-11H,12-13H2,1-5H3,(H,23,24)
InChIKeyCXVLXUGTEGICHF-UHFFFAOYSA-N
MW436.35 g/mol
LogP4.46
Rot. Bonds7

About 2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 92671676) has the molecular formula C21H26BrNO4 and a molecular weight of 436.35 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID92671676
Molecular FormulaC21H26BrNO4
Molecular Weight436.35 g/mol
Exact Mass435.10
IUPAC Name2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC
InChIInChI=1S/C21H26BrNO4/c1-21(2,3)15-7-9-17(16(22)11-15)27-13-20(24)23-12-14-6-8-18(25-4)19(10-14)26-5/h6-11H,12-13H2,1-5H3,(H,23,24)
InChIKeyCXVLXUGTEGICHF-UHFFFAOYSA-N
XLogP4.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-(4-tert-butylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 54777035
2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide
CID 129259478
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 16526066
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4922415
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544260
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 4922414
1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide
CID 4922528
2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100513410
2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1312635

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 92671676) is 2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC.
What is the InChIKey of 2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is CXVLXUGTEGICHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO4/c1-21(2,3)15-7-9-17(16(22)11-15)27-13-20(24)23-12-14-6-8-18(25-4)19(10-14)26-5/h6-11H,12-13H2,1-5H3,(H,23,24).
What are the key properties of 2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 436.35 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-tert-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 92671676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).