N,N'-bis(1-hydroxypropan-2-yl)-2,2-dimethylpropanediamide

C11H22N2O4 — CID 23140861

IUPACN,N'-bis(1-hydroxypropan-2-yl)-2,2-dimethylpropanediamide
SMILESCC(CO)NC(=O)C(C)(C)C(=O)NC(C)CO
InChIInChI=1S/C11H22N2O4/c1-7(5-14)12-9(16)11(3,4)10(17)13-8(2)6-15/h7-8,14-15H,5-6H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyCGLZQRUHDKWBKR-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.99
Rot. Bonds6

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

N,N'-bis(1-hydroxypropan-2-yl)-2,2-dimethylpropanediamide (PubChem CID 23140861) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is N,N'-bis(1-hydroxypropan-2-yl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(1-hydroxypropan-2-yl)-2,2-dimethylpropanediamide
PubChem CID23140861
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC NameN,N'-bis(1-hydroxypropan-2-yl)-2,2-dimethylpropanediamide
SMILESCC(CO)NC(=O)C(C)(C)C(=O)NC(C)CO
InChIInChI=1S/C11H22N2O4/c1-7(5-14)12-9(16)11(3,4)10(17)13-8(2)6-15/h7-8,14-15H,5-6H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyCGLZQRUHDKWBKR-UHFFFAOYSA-N
XLogP-0.99
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 ≤ 5-0.99
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-hydroxypropan-2-yl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis(1-hydroxypropan-2-yl)-2,2-dimethylpropanediamide (CID 23140861) is N,N'-bis(1-hydroxypropan-2-yl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis(1-hydroxypropan-2-yl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis(1-hydroxypropan-2-yl)-2,2-dimethylpropanediamide is CC(CO)NC(=O)C(C)(C)C(=O)NC(C)CO.
What is the InChIKey of N,N'-bis(1-hydroxypropan-2-yl)-2,2-dimethylpropanediamide?
The InChIKey is CGLZQRUHDKWBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-7(5-14)12-9(16)11(3,4)10(17)13-8(2)6-15/h7-8,14-15H,5-6H2,1-4H3,(H,12,16)(H,13,17).
What are the key properties of N,N'-bis(1-hydroxypropan-2-yl)-2,2-dimethylpropanediamide?
N,N'-bis(1-hydroxypropan-2-yl)-2,2-dimethylpropanediamide has a molecular weight of 246.31 g/mol, XLogP of -0.99, 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-hydroxypropan-2-yl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 23140861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).