N,N'-bis(2-hydroxyethyl)-2,2-dimethylpropanediamide

C9H18N2O4 — CID 22892559

IUPACN,N'-bis(2-hydroxyethyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCO)C(=O)NCCO
InChIInChI=1S/C9H18N2O4/c1-9(2,7(14)10-3-5-12)8(15)11-4-6-13/h12-13H,3-6H2,1-2H3,(H,10,14)(H,11,15)
InChIKeyMOAVBHRPMCZMID-UHFFFAOYSA-N
MW218.25 g/mol
LogP-1.77
Rot. Bonds6

About N,N'-bis(2-hydroxyethyl)-2,2-dimethylpropanediamide

N,N'-bis(2-hydroxyethyl)-2,2-dimethylpropanediamide (PubChem CID 22892559) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N,N'-bis(2-hydroxyethyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(2-hydroxyethyl)-2,2-dimethylpropanediamide
PubChem CID22892559
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN,N'-bis(2-hydroxyethyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCO)C(=O)NCCO
InChIInChI=1S/C9H18N2O4/c1-9(2,7(14)10-3-5-12)8(15)11-4-6-13/h12-13H,3-6H2,1-2H3,(H,10,14)(H,11,15)
InChIKeyMOAVBHRPMCZMID-UHFFFAOYSA-N
XLogP-1.77
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.77
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(2-hydroxyethyl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis(2-hydroxyethyl)-2,2-dimethylpropanediamide (CID 22892559) is N,N'-bis(2-hydroxyethyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis(2-hydroxyethyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis(2-hydroxyethyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)NCCO)C(=O)NCCO.
What is the InChIKey of N,N'-bis(2-hydroxyethyl)-2,2-dimethylpropanediamide?
The InChIKey is MOAVBHRPMCZMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,7(14)10-3-5-12)8(15)11-4-6-13/h12-13H,3-6H2,1-2H3,(H,10,14)(H,11,15).
What are the key properties of N,N'-bis(2-hydroxyethyl)-2,2-dimethylpropanediamide?
N,N'-bis(2-hydroxyethyl)-2,2-dimethylpropanediamide has a molecular weight of 218.25 g/mol, XLogP of -1.77, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-hydroxyethyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 22892559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).