2-ethyl-2-phenylpropanediamide

C11H14N2O2 — CID 23611

IUPAC2-ethyl-2-phenylpropanediamide
SMILESCCC(C(N)=O)(C(N)=O)c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyJFZHPFOXAAIUMB-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.31
Rot. Bonds4

About 2-ethyl-2-phenylpropanediamide

2-ethyl-2-phenylpropanediamide (PubChem CID 23611) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-ethyl-2-phenylpropanediamide.

Molecular Properties

Compound Name2-ethyl-2-phenylpropanediamide
PubChem CID23611
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-ethyl-2-phenylpropanediamide
SMILESCCC(C(N)=O)(C(N)=O)c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyJFZHPFOXAAIUMB-UHFFFAOYSA-N
XLogP0.31
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-ethyl-2-phenylpropanediamide?
The IUPAC name of 2-ethyl-2-phenylpropanediamide (CID 23611) is 2-ethyl-2-phenylpropanediamide.
What is the SMILES notation for 2-ethyl-2-phenylpropanediamide?
The canonical SMILES for 2-ethyl-2-phenylpropanediamide is CCC(C(N)=O)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-ethyl-2-phenylpropanediamide?
The InChIKey is JFZHPFOXAAIUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15).
What are the key properties of 2-ethyl-2-phenylpropanediamide?
2-ethyl-2-phenylpropanediamide has a molecular weight of 206.25 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-phenylpropanediamide is sourced from PubChem (CID 23611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).