N-(6-hydroxyhexyl)-N-methylprop-2-enamide

C10H19NO2 — CID 54392964

IUPACN-(6-hydroxyhexyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCCCCO
InChIInChI=1S/C10H19NO2/c1-3-10(13)11(2)8-6-4-5-7-9-12/h3,12H,1,4-9H2,2H3
InChIKeyVHYUITXPOSXJDG-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.18
Rot. Bonds7

About N-(6-hydroxyhexyl)-N-methylprop-2-enamide

N-(6-hydroxyhexyl)-N-methylprop-2-enamide (PubChem CID 54392964) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-N-methylprop-2-enamide
PubChem CID54392964
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(6-hydroxyhexyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCCCCO
InChIInChI=1S/C10H19NO2/c1-3-10(13)11(2)8-6-4-5-7-9-12/h3,12H,1,4-9H2,2H3
InChIKeyVHYUITXPOSXJDG-UHFFFAOYSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.18
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-(6-hydroxyhexyl)-N-methylprop-2-enamide?
The IUPAC name of N-(6-hydroxyhexyl)-N-methylprop-2-enamide (CID 54392964) is N-(6-hydroxyhexyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-N-methylprop-2-enamide?
The canonical SMILES for N-(6-hydroxyhexyl)-N-methylprop-2-enamide is C=CC(=O)N(C)CCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)-N-methylprop-2-enamide?
The InChIKey is VHYUITXPOSXJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-10(13)11(2)8-6-4-5-7-9-12/h3,12H,1,4-9H2,2H3.
What are the key properties of N-(6-hydroxyhexyl)-N-methylprop-2-enamide?
N-(6-hydroxyhexyl)-N-methylprop-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-N-methylprop-2-enamide is sourced from PubChem (CID 54392964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).