[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate

C21H25NO5 — CID 8737849

IUPAC[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
SMILESCCOc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C21H25NO5/c1-5-25-18-11-9-17(10-12-18)22-20(23)15(3)27-21(24)16(4)26-19-8-6-7-14(2)13-19/h6-13,15-16H,5H2,1-4H3,(H,22,23)/t15-,16+/m1/s1
InChIKeyPBSYRRVGTSNFRI-CVEARBPZSA-N
MW371.43 g/mol
LogP3.73
Rot. Bonds8

About [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate

[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate (PubChem CID 8737849) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Name[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
PubChem CID8737849
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
SMILESCCOc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C21H25NO5/c1-5-25-18-11-9-17(10-12-18)22-20(23)15(3)27-21(24)16(4)26-19-8-6-7-14(2)13-19/h6-13,15-16H,5H2,1-4H3,(H,22,23)/t15-,16+/m1/s1
InChIKeyPBSYRRVGTSNFRI-CVEARBPZSA-N
XLogP3.73
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 2397766
N-(3-ethoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 17098138
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-fluorophenoxy)propanoate
CID 8935528
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8855250
(2S)-N-(4-ethoxyphenyl)-2-(3-ethylphenoxy)propanamide
CID 25465522
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737918
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833485
(2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 39729674
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440
methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8639971

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate?
The IUPAC name of [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate (CID 8737849) is [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate.
What is the SMILES notation for [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate?
The canonical SMILES for [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate is CCOc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2cccc(C)c2)cc1.
What is the InChIKey of [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate?
The InChIKey is PBSYRRVGTSNFRI-CVEARBPZSA-N. The full InChI is InChI=1S/C21H25NO5/c1-5-25-18-11-9-17(10-12-18)22-20(23)15(3)27-21(24)16(4)26-19-8-6-7-14(2)13-19/h6-13,15-16H,5H2,1-4H3,(H,22,23)/t15-,16+/m1/s1.
What are the key properties of [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate?
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate has a molecular weight of 371.43 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate is sourced from PubChem (CID 8737849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).