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

C12H22N2O6 — CID 15325393

IUPAC(E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide
SMILESO=C(/C=C/C(=O)N(CCO)CCO)N(CCO)CCO
InChIInChI=1S/C12H22N2O6/c15-7-3-13(4-8-16)11(19)1-2-12(20)14(5-9-17)6-10-18/h1-2,15-18H,3-10H2/b2-1+
InChIKeyAVOSFRUIHGMIRA-OWOJBTEDSA-N
MW290.32 g/mol
LogP-2.83
Rot. Bonds10

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

(E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide (PubChem CID 15325393) has the molecular formula C12H22N2O6 and a molecular weight of 290.32 g/mol. Its IUPAC name is (E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide.

Molecular Properties

Compound Name(E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide
PubChem CID15325393
Molecular FormulaC12H22N2O6
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Name(E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide
SMILESO=C(/C=C/C(=O)N(CCO)CCO)N(CCO)CCO
InChIInChI=1S/C12H22N2O6/c15-7-3-13(4-8-16)11(19)1-2-12(20)14(5-9-17)6-10-18/h1-2,15-18H,3-10H2/b2-1+
InChIKeyAVOSFRUIHGMIRA-OWOJBTEDSA-N
XLogP-2.83
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-2.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide?
The IUPAC name of (E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide (CID 15325393) is (E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide.
What is the SMILES notation for (E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide?
The canonical SMILES for (E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide is O=C(/C=C/C(=O)N(CCO)CCO)N(CCO)CCO.
What is the InChIKey of (E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide?
The InChIKey is AVOSFRUIHGMIRA-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H22N2O6/c15-7-3-13(4-8-16)11(19)1-2-12(20)14(5-9-17)6-10-18/h1-2,15-18H,3-10H2/b2-1+.
What are the key properties of (E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide?
(E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide has a molecular weight of 290.32 g/mol, XLogP of -2.83, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide is sourced from PubChem (CID 15325393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).