N-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide

C8H14N2O3 — CID 54348650

IUPACN-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide
SMILESCC(=CC(N)=O)C(=O)N(C)CCO
InChIInChI=1S/C8H14N2O3/c1-6(5-7(9)12)8(13)10(2)3-4-11/h5,11H,3-4H2,1-2H3,(H2,9,12)
InChIKeyUECGGVLCHGUUHU-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.13
Rot. Bonds4

About N-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide

N-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide (PubChem CID 54348650) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide
PubChem CID54348650
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC NameN-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide
SMILESCC(=CC(N)=O)C(=O)N(C)CCO
InChIInChI=1S/C8H14N2O3/c1-6(5-7(9)12)8(13)10(2)3-4-11/h5,11H,3-4H2,1-2H3,(H2,9,12)
InChIKeyUECGGVLCHGUUHU-UHFFFAOYSA-N
XLogP-1.13
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide?
The IUPAC name of N-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide (CID 54348650) is N-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide is CC(=CC(N)=O)C(=O)N(C)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide?
The InChIKey is UECGGVLCHGUUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(5-7(9)12)8(13)10(2)3-4-11/h5,11H,3-4H2,1-2H3,(H2,9,12).
What are the key properties of N-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide?
N-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide has a molecular weight of 186.21 g/mol, XLogP of -1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide is sourced from PubChem (CID 54348650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).