N-hexyl-N-(2-hydroxyethyl)prop-2-enamide

C11H21NO2 — CID 60948315

IUPACN-hexyl-N-(2-hydroxyethyl)prop-2-enamide
SMILESC=CC(=O)N(CCO)CCCCCC
InChIInChI=1S/C11H21NO2/c1-3-5-6-7-8-12(9-10-13)11(14)4-2/h4,13H,2-3,5-10H2,1H3
InChIKeyOMYATYKRGUSYHK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds8

About N-hexyl-N-(2-hydroxyethyl)prop-2-enamide

N-hexyl-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 60948315) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-hexyl-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-hexyl-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID60948315
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-hexyl-N-(2-hydroxyethyl)prop-2-enamide
SMILESC=CC(=O)N(CCO)CCCCCC
InChIInChI=1S/C11H21NO2/c1-3-5-6-7-8-12(9-10-13)11(14)4-2/h4,13H,2-3,5-10H2,1H3
InChIKeyOMYATYKRGUSYHK-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of N-hexyl-N-(2-hydroxyethyl)prop-2-enamide (CID 60948315) is N-hexyl-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for N-hexyl-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for N-hexyl-N-(2-hydroxyethyl)prop-2-enamide is C=CC(=O)N(CCO)CCCCCC.
What is the InChIKey of N-hexyl-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is OMYATYKRGUSYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-6-7-8-12(9-10-13)11(14)4-2/h4,13H,2-3,5-10H2,1H3.
What are the key properties of N-hexyl-N-(2-hydroxyethyl)prop-2-enamide?
N-hexyl-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 60948315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).