ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate

C19H21NO5 — CID 17130997

IUPACethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate
SMILESCCOC(=O)CC(=O)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C19H21NO5/c1-2-23-19(22)14-18(21)20-16-10-6-7-11-17(16)25-13-12-24-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,20,21)
InChIKeyRZXSAPZROJIBAV-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.04
Rot. Bonds9

About ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate

ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate (PubChem CID 17130997) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate.

Molecular Properties

Compound Nameethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate
PubChem CID17130997
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Nameethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate
SMILESCCOC(=O)CC(=O)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C19H21NO5/c1-2-23-19(22)14-18(21)20-16-10-6-7-11-17(16)25-13-12-24-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,20,21)
InChIKeyRZXSAPZROJIBAV-UHFFFAOYSA-N
XLogP3.04
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride
CID 154890001
N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide
CID 54817766
(E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide
CID 47000270
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282
N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826111
2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54811936
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate?
The IUPAC name of ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate (CID 17130997) is ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate.
What is the SMILES notation for ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate?
The canonical SMILES for ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate is CCOC(=O)CC(=O)Nc1ccccc1OCCOc1ccccc1.
What is the InChIKey of ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate?
The InChIKey is RZXSAPZROJIBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-2-23-19(22)14-18(21)20-16-10-6-7-11-17(16)25-13-12-24-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,20,21).
What are the key properties of ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate?
ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate has a molecular weight of 343.38 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate is sourced from PubChem (CID 17130997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).