2-ethyl-2-(2-methylpropyl)propanediamide

C9H18N2O2 — CID 3029209

IUPAC2-ethyl-2-(2-methylpropyl)propanediamide
SMILESCCC(CC(C)C)(C(N)=O)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-4-9(7(10)12,8(11)13)5-6(2)3/h6H,4-5H2,1-3H3,(H2,10,12)(H2,11,13)
InChIKeyNZAOCVHCTPHDMZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.40
Rot. Bonds5

About 2-ethyl-2-(2-methylpropyl)propanediamide

2-ethyl-2-(2-methylpropyl)propanediamide (PubChem CID 3029209) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylpropyl)propanediamide.

Molecular Properties

Compound Name2-ethyl-2-(2-methylpropyl)propanediamide
PubChem CID3029209
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-ethyl-2-(2-methylpropyl)propanediamide
SMILESCCC(CC(C)C)(C(N)=O)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-4-9(7(10)12,8(11)13)5-6(2)3/h6H,4-5H2,1-3H3,(H2,10,12)(H2,11,13)
InChIKeyNZAOCVHCTPHDMZ-UHFFFAOYSA-N
XLogP0.40
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-(2-methylpropyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylpropyl)propanediamide?
The IUPAC name of 2-ethyl-2-(2-methylpropyl)propanediamide (CID 3029209) is 2-ethyl-2-(2-methylpropyl)propanediamide.
What is the SMILES notation for 2-ethyl-2-(2-methylpropyl)propanediamide?
The canonical SMILES for 2-ethyl-2-(2-methylpropyl)propanediamide is CCC(CC(C)C)(C(N)=O)C(N)=O.
What is the InChIKey of 2-ethyl-2-(2-methylpropyl)propanediamide?
The InChIKey is NZAOCVHCTPHDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-9(7(10)12,8(11)13)5-6(2)3/h6H,4-5H2,1-3H3,(H2,10,12)(H2,11,13).
What are the key properties of 2-ethyl-2-(2-methylpropyl)propanediamide?
2-ethyl-2-(2-methylpropyl)propanediamide has a molecular weight of 186.25 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylpropyl)propanediamide is sourced from PubChem (CID 3029209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).