2-hydroxy-N',N',2-trimethylbutanediamide

C7H14N2O3 — CID 22673426

IUPAC2-hydroxy-N',N',2-trimethylbutanediamide
SMILESCN(C)C(=O)CC(C)(O)C(N)=O
InChIInChI=1S/C7H14N2O3/c1-7(12,6(8)11)4-5(10)9(2)3/h12H,4H2,1-3H3,(H2,8,11)
InChIKeyQEZOYFRGJWKKAQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.30
Rot. Bonds3

About 2-hydroxy-N',N',2-trimethylbutanediamide

2-hydroxy-N',N',2-trimethylbutanediamide (PubChem CID 22673426) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-hydroxy-N',N',2-trimethylbutanediamide.

Molecular Properties

Compound Name2-hydroxy-N',N',2-trimethylbutanediamide
PubChem CID22673426
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-hydroxy-N',N',2-trimethylbutanediamide
SMILESCN(C)C(=O)CC(C)(O)C(N)=O
InChIInChI=1S/C7H14N2O3/c1-7(12,6(8)11)4-5(10)9(2)3/h12H,4H2,1-3H3,(H2,8,11)
InChIKeyQEZOYFRGJWKKAQ-UHFFFAOYSA-N
XLogP-1.30
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N',N',2-trimethylbutanediamide?
The IUPAC name of 2-hydroxy-N',N',2-trimethylbutanediamide (CID 22673426) is 2-hydroxy-N',N',2-trimethylbutanediamide.
What is the SMILES notation for 2-hydroxy-N',N',2-trimethylbutanediamide?
The canonical SMILES for 2-hydroxy-N',N',2-trimethylbutanediamide is CN(C)C(=O)CC(C)(O)C(N)=O.
What is the InChIKey of 2-hydroxy-N',N',2-trimethylbutanediamide?
The InChIKey is QEZOYFRGJWKKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-7(12,6(8)11)4-5(10)9(2)3/h12H,4H2,1-3H3,(H2,8,11).
What are the key properties of 2-hydroxy-N',N',2-trimethylbutanediamide?
2-hydroxy-N',N',2-trimethylbutanediamide has a molecular weight of 174.20 g/mol, XLogP of -1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N',N',2-trimethylbutanediamide is sourced from PubChem (CID 22673426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).