2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide

C20H24BrNO2 — CID 2792510

IUPAC2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide
SMILESCc1cc(OCC(=O)NC(C)c2ccccc2)c(C(C)C)cc1Br
InChIInChI=1S/C20H24BrNO2/c1-13(2)17-11-18(21)14(3)10-19(17)24-12-20(23)22-15(4)16-8-6-5-7-9-16/h5-11,13,15H,12H2,1-4H3,(H,22,23)
InChIKeyBLQVQUHFWIRLBD-UHFFFAOYSA-N
MW390.32 g/mol
LogP5.14
Rot. Bonds6

About 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide

2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide (PubChem CID 2792510) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide
PubChem CID2792510
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Name2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide
SMILESCc1cc(OCC(=O)NC(C)c2ccccc2)c(C(C)C)cc1Br
InChIInChI=1S/C20H24BrNO2/c1-13(2)17-11-18(21)14(3)10-19(17)24-12-20(23)22-15(4)16-8-6-5-7-9-16/h5-11,13,15H,12H2,1-4H3,(H,22,23)
InChIKeyBLQVQUHFWIRLBD-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 921036
N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 3292496
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 19202385
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 8752279
2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide
CID 2942651
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
N-[4-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-2,5-diethoxyphenyl]benzamide
CID 19203095
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide
CID 19202062
2-[(E)-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190270
2-(2-bromophenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7466805

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide (CID 2792510) is 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide is Cc1cc(OCC(=O)NC(C)c2ccccc2)c(C(C)C)cc1Br.
What is the InChIKey of 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide?
The InChIKey is BLQVQUHFWIRLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-13(2)17-11-18(21)14(3)10-19(17)24-12-20(23)22-15(4)16-8-6-5-7-9-16/h5-11,13,15H,12H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide?
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide has a molecular weight of 390.32 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2792510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).