N'-(2-hydroxyethyl)hexa-2,4-dienediamide

C8H12N2O3 — CID 173363491

IUPACN'-(2-hydroxyethyl)hexa-2,4-dienediamide
SMILESNC(=O)C=CC=CC(=O)NCCO
InChIInChI=1S/C8H12N2O3/c9-7(12)3-1-2-4-8(13)10-5-6-11/h1-4,11H,5-6H2,(H2,9,12)(H,10,13)
InChIKeyDAKPFJVHSXQTIB-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.31
Rot. Bonds5

About N'-(2-hydroxyethyl)hexa-2,4-dienediamide

N'-(2-hydroxyethyl)hexa-2,4-dienediamide (PubChem CID 173363491) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is N'-(2-hydroxyethyl)hexa-2,4-dienediamide.

Molecular Properties

Compound NameN'-(2-hydroxyethyl)hexa-2,4-dienediamide
PubChem CID173363491
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC NameN'-(2-hydroxyethyl)hexa-2,4-dienediamide
SMILESNC(=O)C=CC=CC(=O)NCCO
InChIInChI=1S/C8H12N2O3/c9-7(12)3-1-2-4-8(13)10-5-6-11/h1-4,11H,5-6H2,(H2,9,12)(H,10,13)
InChIKeyDAKPFJVHSXQTIB-UHFFFAOYSA-N
XLogP-1.31
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide
CID 21158622
(2E,4E)-N-(2-hydroxyethyl)-6,8-dimethyldeca-2,4-dienamide
CID 53361379
2-hydroxyethylurea;iron
CID 174789558
N-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide
CID 123436293
N'-hexylbut-2-enediamide
CID 154301502
(Z)-N'-decylbut-2-enediamide
CID 87339219
(Z)-N-(2-aminoethyl)-4-oxobut-2-enamide
CID 88954023
N,N'-bis(2-aminoethyl)but-2-enediamide
CID 86151646
ethane;2-hydroxyethylurea
CID 144763401
(2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 101160253
(2Z,4Z)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 102438927
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)penta-2,4-dienamide
CID 87135324

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxyethyl)hexa-2,4-dienediamide?
The IUPAC name of N'-(2-hydroxyethyl)hexa-2,4-dienediamide (CID 173363491) is N'-(2-hydroxyethyl)hexa-2,4-dienediamide.
What is the SMILES notation for N'-(2-hydroxyethyl)hexa-2,4-dienediamide?
The canonical SMILES for N'-(2-hydroxyethyl)hexa-2,4-dienediamide is NC(=O)C=CC=CC(=O)NCCO.
What is the InChIKey of N'-(2-hydroxyethyl)hexa-2,4-dienediamide?
The InChIKey is DAKPFJVHSXQTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c9-7(12)3-1-2-4-8(13)10-5-6-11/h1-4,11H,5-6H2,(H2,9,12)(H,10,13).
What are the key properties of N'-(2-hydroxyethyl)hexa-2,4-dienediamide?
N'-(2-hydroxyethyl)hexa-2,4-dienediamide has a molecular weight of 184.20 g/mol, XLogP of -1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxyethyl)hexa-2,4-dienediamide is sourced from PubChem (CID 173363491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).