[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

C19H20BrNO4 — CID 8011242

IUPAC[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N[C@H](C)c2ccccc2Br)cc1
InChIInChI=1S/C19H20BrNO4/c1-13(16-5-3-4-6-17(16)20)21-18(22)12-25-19(23)11-14-7-9-15(24-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyRWJNQTOLTRTUIR-CYBMUJFWSA-N
MW406.28 g/mol
LogP3.42
Rot. Bonds7

About [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 8011242) has the molecular formula C19H20BrNO4 and a molecular weight of 406.28 g/mol. Its IUPAC name is [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID8011242
Molecular FormulaC19H20BrNO4
Molecular Weight406.28 g/mol
Exact Mass405.06
IUPAC Name[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N[C@H](C)c2ccccc2Br)cc1
InChIInChI=1S/C19H20BrNO4/c1-13(16-5-3-4-6-17(16)20)21-18(22)12-25-19(23)11-14-7-9-15(24-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyRWJNQTOLTRTUIR-CYBMUJFWSA-N
XLogP3.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011202
2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 81383148
N-[1-(2-bromophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78807026
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-methoxyphenyl)acetate
CID 9201232
N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide
CID 26004861
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011834
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8510915
2-(4-aminophenoxy)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 61117701
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate
CID 2519882
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373
methyl 4-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7965082
2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144672

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 8011242) is [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)N[C@H](C)c2ccccc2Br)cc1.
What is the InChIKey of [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is RWJNQTOLTRTUIR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20BrNO4/c1-13(16-5-3-4-6-17(16)20)21-18(22)12-25-19(23)11-14-7-9-15(24-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,22)/t13-/m1/s1.
What are the key properties of [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 406.28 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 8011242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).