2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide

C20H24BrNO2 — CID 7671319

IUPAC2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
SMILESCCc1ccc([C@@H](NC(=O)COc2ccc(Br)cc2)C(C)C)cc1
InChIInChI=1S/C20H24BrNO2/c1-4-15-5-7-16(8-6-15)20(14(2)3)22-19(23)13-24-18-11-9-17(21)10-12-18/h5-12,14,20H,4,13H2,1-3H3,(H,22,23)/t20-/m0/s1
InChIKeyAXNHSEBSKWCEGI-FQEVSTJZSA-N
MW390.32 g/mol
LogP4.90
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide

2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide (PubChem CID 7671319) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
PubChem CID7671319
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Name2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
SMILESCCc1ccc([C@@H](NC(=O)COc2ccc(Br)cc2)C(C)C)cc1
InChIInChI=1S/C20H24BrNO2/c1-4-15-5-7-16(8-6-15)20(14(2)3)22-19(23)13-24-18-11-9-17(21)10-12-18/h5-12,14,20H,4,13H2,1-3H3,(H,22,23)/t20-/m0/s1
InChIKeyAXNHSEBSKWCEGI-FQEVSTJZSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048719
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018343
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272330
methyl 3-(4-bromophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate
CID 55440032
[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806377
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-hydroxyphenoxy)acetamide
CID 78810754
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-fluorophenoxy)acetamide
CID 18268544
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876929

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide (CID 7671319) is 2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide is CCc1ccc([C@@H](NC(=O)COc2ccc(Br)cc2)C(C)C)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide?
The InChIKey is AXNHSEBSKWCEGI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-4-15-5-7-16(8-6-15)20(14(2)3)22-19(23)13-24-18-11-9-17(21)10-12-18/h5-12,14,20H,4,13H2,1-3H3,(H,22,23)/t20-/m0/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide?
2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide has a molecular weight of 390.32 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 7671319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).