[2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate

C20H19N3O4 — CID 2699047

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate
SMILESCn1nc(C(=O)OCC(=O)NCCc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C20H19N3O4/c1-23-19(25)16-10-6-5-9-15(16)18(22-23)20(26)27-13-17(24)21-12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,24)
InChIKeyJLDBBVAXOPKCJS-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.45
Rot. Bonds6

About [2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate

[2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate (PubChem CID 2699047) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate
PubChem CID2699047
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate
SMILESCn1nc(C(=O)OCC(=O)NCCc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C20H19N3O4/c1-23-19(25)16-10-6-5-9-15(16)18(22-23)20(26)27-13-17(24)21-12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,24)
InChIKeyJLDBBVAXOPKCJS-UHFFFAOYSA-N
XLogP1.45
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate (CID 2699047) is [2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate is Cn1nc(C(=O)OCC(=O)NCCc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate?
The InChIKey is JLDBBVAXOPKCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-23-19(25)16-10-6-5-9-15(16)18(22-23)20(26)27-13-17(24)21-12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,24).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate?
[2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate is sourced from PubChem (CID 2699047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).