(E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide

C8H14N2O4 — CID 10219859

IUPAC(E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide
SMILESO=C(/C=C/C(=O)NCCO)NCCO
InChIInChI=1S/C8H14N2O4/c11-5-3-9-7(13)1-2-8(14)10-4-6-12/h1-2,11-12H,3-6H2,(H,9,13)(H,10,14)/b2-1+
InChIKeyUHTRANZKKBMVCM-OWOJBTEDSA-N
MW202.21 g/mol
LogP-2.24
Rot. Bonds6

About (E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide

(E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide (PubChem CID 10219859) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide.

Molecular Properties

Compound Name(E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide
PubChem CID10219859
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide
SMILESO=C(/C=C/C(=O)NCCO)NCCO
InChIInChI=1S/C8H14N2O4/c11-5-3-9-7(13)1-2-8(14)10-4-6-12/h1-2,11-12H,3-6H2,(H,9,13)(H,10,14)/b2-1+
InChIKeyUHTRANZKKBMVCM-OWOJBTEDSA-N
XLogP-2.24
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-2.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide?
The IUPAC name of (E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide (CID 10219859) is (E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide.
What is the SMILES notation for (E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide?
The canonical SMILES for (E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide is O=C(/C=C/C(=O)NCCO)NCCO.
What is the InChIKey of (E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide?
The InChIKey is UHTRANZKKBMVCM-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H14N2O4/c11-5-3-9-7(13)1-2-8(14)10-4-6-12/h1-2,11-12H,3-6H2,(H,9,13)(H,10,14)/b2-1+.
What are the key properties of (E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide?
(E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide has a molecular weight of 202.21 g/mol, XLogP of -2.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide is sourced from PubChem (CID 10219859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).