N,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide

C13H26N2O4 — CID 11380316

IUPACN,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide
SMILESCC(C)(CO)NC(=O)C(C)(C)C(=O)NC(C)(C)CO
InChIInChI=1S/C13H26N2O4/c1-11(2,7-16)14-9(18)13(5,6)10(19)15-12(3,4)8-17/h16-17H,7-8H2,1-6H3,(H,14,18)(H,15,19)
InChIKeyGKAGEPWPNNHUAI-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.21
Rot. Bonds6

About N,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide

N,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide (PubChem CID 11380316) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is N,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide
PubChem CID11380316
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC NameN,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide
SMILESCC(C)(CO)NC(=O)C(C)(C)C(=O)NC(C)(C)CO
InChIInChI=1S/C13H26N2O4/c1-11(2,7-16)14-9(18)13(5,6)10(19)15-12(3,4)8-17/h16-17H,7-8H2,1-6H3,(H,14,18)(H,15,19)
InChIKeyGKAGEPWPNNHUAI-UHFFFAOYSA-N
XLogP-0.21
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide 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 N,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide (CID 11380316) is N,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide is CC(C)(CO)NC(=O)C(C)(C)C(=O)NC(C)(C)CO.
What is the InChIKey of N,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide?
The InChIKey is GKAGEPWPNNHUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-11(2,7-16)14-9(18)13(5,6)10(19)15-12(3,4)8-17/h16-17H,7-8H2,1-6H3,(H,14,18)(H,15,19).
What are the key properties of N,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide?
N,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide has a molecular weight of 274.36 g/mol, XLogP of -0.21, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 11380316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).