[2-(benzylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate

C19H20N2O4 — CID 2563358

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1C
InChIInChI=1S/C19H20N2O4/c1-13-8-9-16(10-14(13)2)18(23)25-12-17(22)21-19(24)20-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H2,20,21,22,24)
InChIKeyQUMGKMWAJQCADI-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.49
Rot. Bonds5

About [2-(benzylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate

[2-(benzylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate (PubChem CID 2563358) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate
PubChem CID2563358
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1C
InChIInChI=1S/C19H20N2O4/c1-13-8-9-16(10-14(13)2)18(23)25-12-17(22)21-19(24)20-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H2,20,21,22,24)
InChIKeyQUMGKMWAJQCADI-UHFFFAOYSA-N
XLogP2.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate (CID 2563358) is [2-(benzylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate is Cc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1C.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate?
The InChIKey is QUMGKMWAJQCADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-8-9-16(10-14(13)2)18(23)25-12-17(22)21-19(24)20-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H2,20,21,22,24).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate has a molecular weight of 340.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 3,4-dimethylbenzoate is sourced from PubChem (CID 2563358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).