2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C21H26BrNO3 — CID 28576849

IUPAC2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)COc1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C21H26BrNO3/c1-21(2,3)16-10-11-19(17(22)12-16)26-14-20(24)23(4)13-15-8-6-7-9-18(15)25-5/h6-12H,13-14H2,1-5H3
InChIKeyCGYWEMXUKXUIDT-UHFFFAOYSA-N
MW420.35 g/mol
LogP4.79
Rot. Bonds6

About 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 28576849) has the molecular formula C21H26BrNO3 and a molecular weight of 420.35 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID28576849
Molecular FormulaC21H26BrNO3
Molecular Weight420.35 g/mol
Exact Mass419.11
IUPAC Name2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)COc1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C21H26BrNO3/c1-21(2,3)16-10-11-19(17(22)12-16)26-14-20(24)23(4)13-15-8-6-7-9-18(15)25-5/h6-12H,13-14H2,1-5H3
InChIKeyCGYWEMXUKXUIDT-UHFFFAOYSA-N
XLogP4.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 112828375
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 18776539
2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112777998
methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate
CID 55560836
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7486792
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 132679379
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132680320
2-[benzyl-[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 132943941
N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide
CID 2632781
2-(4-benzoylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 7560002
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 28576849) is 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccccc1CN(C)C(=O)COc1ccc(C(C)(C)C)cc1Br.
What is the InChIKey of 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is CGYWEMXUKXUIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO3/c1-21(2,3)16-10-11-19(17(22)12-16)26-14-20(24)23(4)13-15-8-6-7-9-18(15)25-5/h6-12H,13-14H2,1-5H3.
What are the key properties of 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 420.35 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 28576849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).