diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate

C20H22N2O5 — CID 3756272

IUPACdiethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate
SMILESCCOC(=O)C(NC(=O)Nc1ccccc1-c1ccccc1)C(=O)OCC
InChIInChI=1S/C20H22N2O5/c1-3-26-18(23)17(19(24)27-4-2)22-20(25)21-16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-13,17H,3-4H2,1-2H3,(H2,21,22,25)
InChIKeyZLWPGXPLDJRMRR-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.97
Rot. Bonds7

About diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate

diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate (PubChem CID 3756272) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate
PubChem CID3756272
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namediethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate
SMILESCCOC(=O)C(NC(=O)Nc1ccccc1-c1ccccc1)C(=O)OCC
InChIInChI=1S/C20H22N2O5/c1-3-26-18(23)17(19(24)27-4-2)22-20(25)21-16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-13,17H,3-4H2,1-2H3,(H2,21,22,25)
InChIKeyZLWPGXPLDJRMRR-UHFFFAOYSA-N
XLogP2.97
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate?
The IUPAC name of diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate (CID 3756272) is diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate.
What is the SMILES notation for diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate?
The canonical SMILES for diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate is CCOC(=O)C(NC(=O)Nc1ccccc1-c1ccccc1)C(=O)OCC.
What is the InChIKey of diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate?
The InChIKey is ZLWPGXPLDJRMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-26-18(23)17(19(24)27-4-2)22-20(25)21-16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-13,17H,3-4H2,1-2H3,(H2,21,22,25).
What are the key properties of diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate?
diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate has a molecular weight of 370.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate is sourced from PubChem (CID 3756272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).