3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide

C11H24N2O2 — CID 79039842

IUPAC3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide
SMILESCCC(O)(CC)CNC(=O)CCN(C)C
InChIInChI=1S/C11H24N2O2/c1-5-11(15,6-2)9-12-10(14)7-8-13(3)4/h15H,5-9H2,1-4H3,(H,12,14)
InChIKeyZERLDXBAKLQOGX-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.61
Rot. Bonds7

About 3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide

3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide (PubChem CID 79039842) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide
PubChem CID79039842
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide
SMILESCCC(O)(CC)CNC(=O)CCN(C)C
InChIInChI=1S/C11H24N2O2/c1-5-11(15,6-2)9-12-10(14)7-8-13(3)4/h15H,5-9H2,1-4H3,(H,12,14)
InChIKeyZERLDXBAKLQOGX-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The IUPAC name of 3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide (CID 79039842) is 3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The canonical SMILES for 3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide is CCC(O)(CC)CNC(=O)CCN(C)C.
What is the InChIKey of 3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The InChIKey is ZERLDXBAKLQOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-11(15,6-2)9-12-10(14)7-8-13(3)4/h15H,5-9H2,1-4H3,(H,12,14).
What are the key properties of 3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide?
3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide has a molecular weight of 216.32 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide is sourced from PubChem (CID 79039842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).