[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methoxybenzoate

C20H23NO4 — CID 3332385

IUPAC[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-15(8-9-16-6-4-3-5-7-16)21-19(22)14-25-20(23)17-10-12-18(24-2)13-11-17/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,21,22)
InChIKeyYDNRFYZZXWQCGV-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.99
Rot. Bonds8

About [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methoxybenzoate

[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methoxybenzoate (PubChem CID 3332385) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methoxybenzoate
PubChem CID3332385
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-15(8-9-16-6-4-3-5-7-16)21-19(22)14-25-20(23)17-10-12-18(24-2)13-11-17/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,21,22)
InChIKeyYDNRFYZZXWQCGV-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methoxybenzoate?
The IUPAC name of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methoxybenzoate (CID 3332385) is [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)NC(C)CCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methoxybenzoate?
The InChIKey is YDNRFYZZXWQCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15(8-9-16-6-4-3-5-7-16)21-19(22)14-25-20(23)17-10-12-18(24-2)13-11-17/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methoxybenzoate?
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methoxybenzoate has a molecular weight of 341.41 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methoxybenzoate is sourced from PubChem (CID 3332385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).