methyl 2-(dibenzylamino)-2-oxoacetate

C17H17NO3 — CID 115958929

IUPACmethyl 2-(dibenzylamino)-2-oxoacetate
SMILESCOC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H17NO3/c1-21-17(20)16(19)18(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyWVVNCGSPUXJLTN-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.39
Rot. Bonds4

About methyl 2-(dibenzylamino)-2-oxoacetate

methyl 2-(dibenzylamino)-2-oxoacetate (PubChem CID 115958929) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 2-(dibenzylamino)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(dibenzylamino)-2-oxoacetate
PubChem CID115958929
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-(dibenzylamino)-2-oxoacetate
SMILESCOC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H17NO3/c1-21-17(20)16(19)18(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyWVVNCGSPUXJLTN-UHFFFAOYSA-N
XLogP2.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dibenzylamino)-2-oxoacetate?
The IUPAC name of methyl 2-(dibenzylamino)-2-oxoacetate (CID 115958929) is methyl 2-(dibenzylamino)-2-oxoacetate.
What is the SMILES notation for methyl 2-(dibenzylamino)-2-oxoacetate?
The canonical SMILES for methyl 2-(dibenzylamino)-2-oxoacetate is COC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl 2-(dibenzylamino)-2-oxoacetate?
The InChIKey is WVVNCGSPUXJLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-21-17(20)16(19)18(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3.
What are the key properties of methyl 2-(dibenzylamino)-2-oxoacetate?
methyl 2-(dibenzylamino)-2-oxoacetate has a molecular weight of 283.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dibenzylamino)-2-oxoacetate is sourced from PubChem (CID 115958929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).