[2-(carbamoylamino)-2-oxoethyl] 2-phenoxybenzoate

C16H14N2O5 — CID 2116753

IUPAC[2-(carbamoylamino)-2-oxoethyl] 2-phenoxybenzoate
SMILESNC(=O)NC(=O)COC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H14N2O5/c17-16(21)18-14(19)10-22-15(20)12-8-4-5-9-13(12)23-11-6-2-1-3-7-11/h1-9H,10H2,(H3,17,18,19,21)
InChIKeyVLEWYEKWGAWDLK-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.83
Rot. Bonds5

About [2-(carbamoylamino)-2-oxoethyl] 2-phenoxybenzoate

[2-(carbamoylamino)-2-oxoethyl] 2-phenoxybenzoate (PubChem CID 2116753) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 2-phenoxybenzoate
PubChem CID2116753
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 2-phenoxybenzoate
SMILESNC(=O)NC(=O)COC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H14N2O5/c17-16(21)18-14(19)10-22-15(20)12-8-4-5-9-13(12)23-11-6-2-1-3-7-11/h1-9H,10H2,(H3,17,18,19,21)
InChIKeyVLEWYEKWGAWDLK-UHFFFAOYSA-N
XLogP1.83
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2-phenoxybenzoate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2-phenoxybenzoate (CID 2116753) is [2-(carbamoylamino)-2-oxoethyl] 2-phenoxybenzoate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 2-phenoxybenzoate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 2-phenoxybenzoate is NC(=O)NC(=O)COC(=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 2-phenoxybenzoate?
The InChIKey is VLEWYEKWGAWDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c17-16(21)18-14(19)10-22-15(20)12-8-4-5-9-13(12)23-11-6-2-1-3-7-11/h1-9H,10H2,(H3,17,18,19,21).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 2-phenoxybenzoate?
[2-(carbamoylamino)-2-oxoethyl] 2-phenoxybenzoate has a molecular weight of 314.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 2-phenoxybenzoate is sourced from PubChem (CID 2116753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).