N,N-bis(2-hydroxyethyl)hex-3-enamide

C10H19NO3 — CID 59040757

IUPACN,N-bis(2-hydroxyethyl)hex-3-enamide
SMILESCCC=CCC(=O)N(CCO)CCO
InChIInChI=1S/C10H19NO3/c1-2-3-4-5-10(14)11(6-8-12)7-9-13/h3-4,12-13H,2,5-9H2,1H3
InChIKeyKFXMLMXNPPSGGA-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.16
Rot. Bonds7

About N,N-bis(2-hydroxyethyl)hex-3-enamide

N,N-bis(2-hydroxyethyl)hex-3-enamide (PubChem CID 59040757) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)hex-3-enamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)hex-3-enamide
PubChem CID59040757
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN,N-bis(2-hydroxyethyl)hex-3-enamide
SMILESCCC=CCC(=O)N(CCO)CCO
InChIInChI=1S/C10H19NO3/c1-2-3-4-5-10(14)11(6-8-12)7-9-13/h3-4,12-13H,2,5-9H2,1H3
InChIKeyKFXMLMXNPPSGGA-UHFFFAOYSA-N
XLogP0.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)hex-3-enamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)hex-3-enamide (CID 59040757) is N,N-bis(2-hydroxyethyl)hex-3-enamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)hex-3-enamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)hex-3-enamide is CCC=CCC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)hex-3-enamide?
The InChIKey is KFXMLMXNPPSGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-3-4-5-10(14)11(6-8-12)7-9-13/h3-4,12-13H,2,5-9H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)hex-3-enamide?
N,N-bis(2-hydroxyethyl)hex-3-enamide has a molecular weight of 201.27 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)hex-3-enamide is sourced from PubChem (CID 59040757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).