[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate

C22H27NO5 — CID 7729333

IUPAC[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)O[C@@H](C)C(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C22H27NO5/c1-5-17-11-9-10-15(3)21(17)23-22(25)16(4)28-20(24)14-27-19-13-8-7-12-18(19)26-6-2/h7-13,16H,5-6,14H2,1-4H3,(H,23,25)/t16-/m0/s1
InChIKeyAXAJBGWKFISWRD-INIZCTEOSA-N
MW385.46 g/mol
LogP3.91
Rot. Bonds9

About [(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate

[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate (PubChem CID 7729333) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is [(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate
PubChem CID7729333
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)O[C@@H](C)C(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C22H27NO5/c1-5-17-11-9-10-15(3)21(17)23-22(25)16(4)28-20(24)14-27-19-13-8-7-12-18(19)26-6-2/h7-13,16H,5-6,14H2,1-4H3,(H,23,25)/t16-/m0/s1
InChIKeyAXAJBGWKFISWRD-INIZCTEOSA-N
XLogP3.91
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 55419510
(2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 40872944
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
CID 8953558
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9275885
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(2,3-dimethylphenoxy)acetate
CID 7981984
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 8850905
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885477
(2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 92674551
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
CID 8527947
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
CID 8527949
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 717648
N-(2-ethoxyphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 44997898

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate?
The IUPAC name of [(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate (CID 7729333) is [(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate.
What is the SMILES notation for [(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate?
The canonical SMILES for [(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate is CCOc1ccccc1OCC(=O)O[C@@H](C)C(=O)Nc1c(C)cccc1CC.
What is the InChIKey of [(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate?
The InChIKey is AXAJBGWKFISWRD-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27NO5/c1-5-17-11-9-10-15(3)21(17)23-22(25)16(4)28-20(24)14-27-19-13-8-7-12-18(19)26-6-2/h7-13,16H,5-6,14H2,1-4H3,(H,23,25)/t16-/m0/s1.
What are the key properties of [(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate?
[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate has a molecular weight of 385.46 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate is sourced from PubChem (CID 7729333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).