(E)-N',N'-diethylbut-2-enediamide

C8H14N2O2 — CID 18353953

IUPAC(E)-N',N'-diethylbut-2-enediamide
SMILESCCN(CC)C(=O)/C=C/C(N)=O
InChIInChI=1S/C8H14N2O2/c1-3-10(4-2)8(12)6-5-7(9)11/h5-6H,3-4H2,1-2H3,(H2,9,11)/b6-5+
InChIKeyNAXMCPXRGLEFDW-AATRIKPKSA-N
MW170.21 g/mol
LogP-0.10
Rot. Bonds4

About (E)-N',N'-diethylbut-2-enediamide

(E)-N',N'-diethylbut-2-enediamide (PubChem CID 18353953) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (E)-N',N'-diethylbut-2-enediamide.

Molecular Properties

Compound Name(E)-N',N'-diethylbut-2-enediamide
PubChem CID18353953
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(E)-N',N'-diethylbut-2-enediamide
SMILESCCN(CC)C(=O)/C=C/C(N)=O
InChIInChI=1S/C8H14N2O2/c1-3-10(4-2)8(12)6-5-7(9)11/h5-6H,3-4H2,1-2H3,(H2,9,11)/b6-5+
InChIKeyNAXMCPXRGLEFDW-AATRIKPKSA-N
XLogP-0.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-diethylbut-2-enediamide?
The IUPAC name of (E)-N',N'-diethylbut-2-enediamide (CID 18353953) is (E)-N',N'-diethylbut-2-enediamide.
What is the SMILES notation for (E)-N',N'-diethylbut-2-enediamide?
The canonical SMILES for (E)-N',N'-diethylbut-2-enediamide is CCN(CC)C(=O)/C=C/C(N)=O.
What is the InChIKey of (E)-N',N'-diethylbut-2-enediamide?
The InChIKey is NAXMCPXRGLEFDW-AATRIKPKSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-10(4-2)8(12)6-5-7(9)11/h5-6H,3-4H2,1-2H3,(H2,9,11)/b6-5+.
What are the key properties of (E)-N',N'-diethylbut-2-enediamide?
(E)-N',N'-diethylbut-2-enediamide has a molecular weight of 170.21 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N',N'-diethylbut-2-enediamide is sourced from PubChem (CID 18353953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).