[2-(methylamino)-2-oxoethyl] 2-anilinobenzoate

C16H16N2O3 — CID 2420011

IUPAC[2-(methylamino)-2-oxoethyl] 2-anilinobenzoate
SMILESCNC(=O)COC(=O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C16H16N2O3/c1-17-15(19)11-21-16(20)13-9-5-6-10-14(13)18-12-7-3-2-4-8-12/h2-10,18H,11H2,1H3,(H,17,19)
InChIKeyWKZOPRYLOIAJQP-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.33
Rot. Bonds5

About [2-(methylamino)-2-oxoethyl] 2-anilinobenzoate

[2-(methylamino)-2-oxoethyl] 2-anilinobenzoate (PubChem CID 2420011) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-anilinobenzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-anilinobenzoate
PubChem CID2420011
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-anilinobenzoate
SMILESCNC(=O)COC(=O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C16H16N2O3/c1-17-15(19)11-21-16(20)13-9-5-6-10-14(13)18-12-7-3-2-4-8-12/h2-10,18H,11H2,1H3,(H,17,19)
InChIKeyWKZOPRYLOIAJQP-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-anilinobenzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-anilinobenzoate (CID 2420011) is [2-(methylamino)-2-oxoethyl] 2-anilinobenzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-anilinobenzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-anilinobenzoate is CNC(=O)COC(=O)c1ccccc1Nc1ccccc1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-anilinobenzoate?
The InChIKey is WKZOPRYLOIAJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-17-15(19)11-21-16(20)13-9-5-6-10-14(13)18-12-7-3-2-4-8-12/h2-10,18H,11H2,1H3,(H,17,19).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-anilinobenzoate?
[2-(methylamino)-2-oxoethyl] 2-anilinobenzoate has a molecular weight of 284.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-anilinobenzoate is sourced from PubChem (CID 2420011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).