[2-oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate

C18H19NO4 — CID 2405992

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate
SMILESCC(C)NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c1-13(2)19-17(20)12-22-18(21)14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,19,20)
InChIKeyIPNUVZYDDZFGCJ-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.16
Rot. Bonds6

About [2-oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate

[2-oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate (PubChem CID 2405992) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate
PubChem CID2405992
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate
SMILESCC(C)NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c1-13(2)19-17(20)12-22-18(21)14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,19,20)
InChIKeyIPNUVZYDDZFGCJ-UHFFFAOYSA-N
XLogP3.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate (CID 2405992) is [2-oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate is CC(C)NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate?
The InChIKey is IPNUVZYDDZFGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13(2)19-17(20)12-22-18(21)14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,19,20).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate?
[2-oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate has a molecular weight of 313.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 4-phenoxybenzoate is sourced from PubChem (CID 2405992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).