N',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide

C10H18N2O3 — CID 163952153

IUPACN',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide
SMILESCCN(CC)C(=O)C=C(CCO)C(N)=O
InChIInChI=1S/C10H18N2O3/c1-3-12(4-2)9(14)7-8(5-6-13)10(11)15/h7,13H,3-6H2,1-2H3,(H2,11,15)
InChIKeyJEUZZSQTILCMAL-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.35
Rot. Bonds6

About N',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide

N',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide (PubChem CID 163952153) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide.

Molecular Properties

Compound NameN',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide
PubChem CID163952153
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide
SMILESCCN(CC)C(=O)C=C(CCO)C(N)=O
InChIInChI=1S/C10H18N2O3/c1-3-12(4-2)9(14)7-8(5-6-13)10(11)15/h7,13H,3-6H2,1-2H3,(H2,11,15)
InChIKeyJEUZZSQTILCMAL-UHFFFAOYSA-N
XLogP-0.35
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.35
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',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide?
The IUPAC name of N',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide (CID 163952153) is N',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide.
What is the SMILES notation for N',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide?
The canonical SMILES for N',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide is CCN(CC)C(=O)C=C(CCO)C(N)=O.
What is the InChIKey of N',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide?
The InChIKey is JEUZZSQTILCMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-12(4-2)9(14)7-8(5-6-13)10(11)15/h7,13H,3-6H2,1-2H3,(H2,11,15).
What are the key properties of N',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide?
N',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide has a molecular weight of 214.26 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide is sourced from PubChem (CID 163952153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).