2-ethyl-2-propylpropanediamide

C8H16N2O2 — CID 3029211

IUPAC2-ethyl-2-propylpropanediamide
SMILESCCCC(CC)(C(N)=O)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-3-5-8(4-2,6(9)11)7(10)12/h3-5H2,1-2H3,(H2,9,11)(H2,10,12)
InChIKeyCVKHMRDOJHXAAR-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.15
Rot. Bonds5

About 2-ethyl-2-propylpropanediamide

2-ethyl-2-propylpropanediamide (PubChem CID 3029211) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-ethyl-2-propylpropanediamide.

Molecular Properties

Compound Name2-ethyl-2-propylpropanediamide
PubChem CID3029211
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-ethyl-2-propylpropanediamide
SMILESCCCC(CC)(C(N)=O)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-3-5-8(4-2,6(9)11)7(10)12/h3-5H2,1-2H3,(H2,9,11)(H2,10,12)
InChIKeyCVKHMRDOJHXAAR-UHFFFAOYSA-N
XLogP0.15
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.15
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-propylpropanediamide?
The IUPAC name of 2-ethyl-2-propylpropanediamide (CID 3029211) is 2-ethyl-2-propylpropanediamide.
What is the SMILES notation for 2-ethyl-2-propylpropanediamide?
The canonical SMILES for 2-ethyl-2-propylpropanediamide is CCCC(CC)(C(N)=O)C(N)=O.
What is the InChIKey of 2-ethyl-2-propylpropanediamide?
The InChIKey is CVKHMRDOJHXAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-5-8(4-2,6(9)11)7(10)12/h3-5H2,1-2H3,(H2,9,11)(H2,10,12).
What are the key properties of 2-ethyl-2-propylpropanediamide?
2-ethyl-2-propylpropanediamide has a molecular weight of 172.23 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-propylpropanediamide is sourced from PubChem (CID 3029211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).