2,2-diethylpropanediamide;hydrochloride

C7H15ClN2O2 — CID 87664492

IUPAC2,2-diethylpropanediamide;hydrochloride
SMILESCCC(CC)(C(N)=O)C(N)=O.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-3-7(4-2,5(8)10)6(9)11;/h3-4H2,1-2H3,(H2,8,10)(H2,9,11);1H
InChIKeyKSGLAWHTOXINJR-UHFFFAOYSA-N
MW194.66 g/mol
LogP0.19
Rot. Bonds4

About 2,2-diethylpropanediamide;hydrochloride

2,2-diethylpropanediamide;hydrochloride (PubChem CID 87664492) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2,2-diethylpropanediamide;hydrochloride.

Molecular Properties

Compound Name2,2-diethylpropanediamide;hydrochloride
PubChem CID87664492
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Name2,2-diethylpropanediamide;hydrochloride
SMILESCCC(CC)(C(N)=O)C(N)=O.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-3-7(4-2,5(8)10)6(9)11;/h3-4H2,1-2H3,(H2,8,10)(H2,9,11);1H
InChIKeyKSGLAWHTOXINJR-UHFFFAOYSA-N
XLogP0.19
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-diethylpropanediamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2,2-Diethylpropanediamide
CID 299199
2,2-Bis(2-fluoroethyl)propanediamide
CID 141227646
2-Ethyl-2-methylacetoacetamide
CID 45085714
2-Ethyl-2-methylpropanediamide
CID 20458145
2,2-Diacetylpropanediamide
CID 21185468
2,2-Diethylpropanediamide;dihydrochloride
CID 71431064
Propane-1,1,1-tricarboxamide
CID 87824043
2,2-Di(propan-2-yl)propanediamide
CID 88057937
2,2-Ditert-butylpropanediamide
CID 91330204
2,2-Ditert-butylpropanediamide;dichlorotitanium
CID 162157622
2,2-Ditert-butylpropanediamide;titanium;dihydrochloride
CID 173136778
2,2-Ditert-butylpropanediamide;titanium(2+);dichloride
CID 173136780

Frequently Asked Questions

What is the IUPAC name of 2,2-diethylpropanediamide;hydrochloride?
The IUPAC name of 2,2-diethylpropanediamide;hydrochloride (CID 87664492) is 2,2-diethylpropanediamide;hydrochloride.
What is the SMILES notation for 2,2-diethylpropanediamide;hydrochloride?
The canonical SMILES for 2,2-diethylpropanediamide;hydrochloride is CCC(CC)(C(N)=O)C(N)=O.Cl.
What is the InChIKey of 2,2-diethylpropanediamide;hydrochloride?
The InChIKey is KSGLAWHTOXINJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c1-3-7(4-2,5(8)10)6(9)11;/h3-4H2,1-2H3,(H2,8,10)(H2,9,11);1H.
What are the key properties of 2,2-diethylpropanediamide;hydrochloride?
2,2-diethylpropanediamide;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylpropanediamide;hydrochloride is sourced from PubChem (CID 87664492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).