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

C8H14N2O2 — CID 22015135

IUPAC(E)-N,N'-diethylbut-2-enediamide
SMILESCCNC(=O)/C=C/C(=O)NCC
InChIInChI=1S/C8H14N2O2/c1-3-9-7(11)5-6-8(12)10-4-2/h5-6H,3-4H2,1-2H3,(H,9,11)(H,10,12)/b6-5+
InChIKeyCGDSXGVAJVNEME-AATRIKPKSA-N
MW170.21 g/mol
LogP-0.19
Rot. Bonds4

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

(E)-N,N'-diethylbut-2-enediamide (PubChem CID 22015135) 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 CID22015135
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(E)-N,N'-diethylbut-2-enediamide
SMILESCCNC(=O)/C=C/C(=O)NCC
InChIInChI=1S/C8H14N2O2/c1-3-9-7(11)5-6-8(12)10-4-2/h5-6H,3-4H2,1-2H3,(H,9,11)(H,10,12)/b6-5+
InChIKeyCGDSXGVAJVNEME-AATRIKPKSA-N
XLogP-0.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide
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N-ethylprop-2-enamide;N-methylmethanamine
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(Z)-3-chloro-N-ethylbut-2-enamide
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[3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate
CID 151233614
(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide
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(2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide
CID 144808712
(2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide;ethane
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N,N'-diethylpropanediamide
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1,3-diethylurea;ethane
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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 22015135) 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 CCNC(=O)/C=C/C(=O)NCC.
What is the InChIKey of (E)-N,N'-diethylbut-2-enediamide?
The InChIKey is CGDSXGVAJVNEME-AATRIKPKSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-9-7(11)5-6-8(12)10-4-2/h5-6H,3-4H2,1-2H3,(H,9,11)(H,10,12)/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 -0.19, 4 rotatable bonds, 2 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 22015135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).