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

C11H22N2O4 — CID 4000556

IUPACN,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide
SMILESCC(C)(CO)NC(=O)CC(=O)NC(C)(C)CO
InChIInChI=1S/C11H22N2O4/c1-10(2,6-14)12-8(16)5-9(17)13-11(3,4)7-15/h14-15H,5-7H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyXIGFPPRYUSEWSL-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.85
Rot. Bonds6

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

N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide (PubChem CID 4000556) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide
PubChem CID4000556
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC NameN,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide
SMILESCC(C)(CO)NC(=O)CC(=O)NC(C)(C)CO
InChIInChI=1S/C11H22N2O4/c1-10(2,6-14)12-8(16)5-9(17)13-11(3,4)7-15/h14-15H,5-7H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyXIGFPPRYUSEWSL-UHFFFAOYSA-N
XLogP-0.85
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide?
The IUPAC name of N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide (CID 4000556) is N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide.
What is the SMILES notation for N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide?
The canonical SMILES for N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide is CC(C)(CO)NC(=O)CC(=O)NC(C)(C)CO.
What is the InChIKey of N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide?
The InChIKey is XIGFPPRYUSEWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-10(2,6-14)12-8(16)5-9(17)13-11(3,4)7-15/h14-15H,5-7H2,1-4H3,(H,12,16)(H,13,17).
What are the key properties of N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide?
N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide has a molecular weight of 246.31 g/mol, XLogP of -0.85, 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)propanediamide is sourced from PubChem (CID 4000556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).