[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate

C20H23NO4 — CID 4532941

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate
SMILESCCOc1ccccc1NC(=O)COC(=O)C(CC)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-3-16(15-10-6-5-7-11-15)20(23)25-14-19(22)21-17-12-8-9-13-18(17)24-4-2/h5-13,16H,3-4,14H2,1-2H3,(H,21,22)
InChIKeySNYLUPKTDZDRSM-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.76
Rot. Bonds8

About [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate

[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate (PubChem CID 4532941) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate
PubChem CID4532941
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate
SMILESCCOc1ccccc1NC(=O)COC(=O)C(CC)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-3-16(15-10-6-5-7-11-15)20(23)25-14-19(22)21-17-12-8-9-13-18(17)24-4-2/h5-13,16H,3-4,14H2,1-2H3,(H,21,22)
InChIKeySNYLUPKTDZDRSM-UHFFFAOYSA-N
XLogP3.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate (CID 4532941) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate is CCOc1ccccc1NC(=O)COC(=O)C(CC)c1ccccc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate?
The InChIKey is SNYLUPKTDZDRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-16(15-10-6-5-7-11-15)20(23)25-14-19(22)21-17-12-8-9-13-18(17)24-4-2/h5-13,16H,3-4,14H2,1-2H3,(H,21,22).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate has a molecular weight of 341.41 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylbutanoate is sourced from PubChem (CID 4532941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).