ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate

C21H25NO4 — CID 7695014

IUPACethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccccc1OCC(=O)N[C@H](C)c1ccc(CC)cc1
InChIInChI=1S/C21H25NO4/c1-4-16-10-12-17(13-11-16)15(3)22-20(23)14-26-19-9-7-6-8-18(19)21(24)25-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyJZUCHOUHHJOBSE-OAHLLOKOSA-N
MW355.43 g/mol
LogP3.68
Rot. Bonds8

About ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate

ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate (PubChem CID 7695014) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Nameethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate
PubChem CID7695014
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Nameethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccccc1OCC(=O)N[C@H](C)c1ccc(CC)cc1
InChIInChI=1S/C21H25NO4/c1-4-16-10-12-17(13-11-16)15(3)22-20(23)14-26-19-9-7-6-8-18(19)21(24)25-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyJZUCHOUHHJOBSE-OAHLLOKOSA-N
XLogP3.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326940
2-(2,3-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326921
2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide
CID 7283926
N-[1-(4-ethylphenyl)ethyl]-2-phenoxyacetamide
CID 17326821
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-bromobenzoate
CID 7775245
2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 46521998
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-ethoxybenzoate
CID 9197483
2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzamide
CID 8866061
2-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7199656
2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17327092
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
N-[1-(4-ethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17326918

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate?
The IUPAC name of ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate (CID 7695014) is ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate.
What is the SMILES notation for ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate?
The canonical SMILES for ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate is CCOC(=O)c1ccccc1OCC(=O)N[C@H](C)c1ccc(CC)cc1.
What is the InChIKey of ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate?
The InChIKey is JZUCHOUHHJOBSE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-16-10-12-17(13-11-16)15(3)22-20(23)14-26-19-9-7-6-8-18(19)21(24)25-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,22,23)/t15-/m1/s1.
What are the key properties of ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate?
ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate has a molecular weight of 355.43 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 7695014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).