N-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

C11H20N2O2 — CID 20523758

IUPACN-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESCCCCCCNC(=O)C1=NCCCO1
InChIInChI=1S/C11H20N2O2/c1-2-3-4-5-7-12-10(14)11-13-8-6-9-15-11/h2-9H2,1H3,(H,12,14)
InChIKeyGZYSVKDZRHJNOO-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.50
Rot. Bonds6

About N-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide

N-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 20523758) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID20523758
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESCCCCCCNC(=O)C1=NCCCO1
InChIInChI=1S/C11H20N2O2/c1-2-3-4-5-7-12-10(14)11-13-8-6-9-15-11/h2-9H2,1H3,(H,12,14)
InChIKeyGZYSVKDZRHJNOO-UHFFFAOYSA-N
XLogP1.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 20298099
N-hexyl-2-methoxyacetamide
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CID 87580811
N-heptyl-2-methoxyacetamide
CID 90291620
n-Octyl diglycolamide
CID 129831471
N-cyclohexyl-2-ethoxyacetamide
CID 4141421
2,2'-Oxybis(N-hexylacetamide)
CID 15787992
Hexyl diglycolamide
CID 168430100
2-(2-fluoroethoxy)-N-hexylacetamide
CID 177213455
2-ethoxy-N-pentylacetamide
CID 4602072
2-ethoxy-N-heptylacetamide
CID 4616582
2-ethoxy-N-hexylacetamide
CID 5161828

Frequently Asked Questions

What is the IUPAC name of N-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of N-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 20523758) is N-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for N-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is CCCCCCNC(=O)C1=NCCCO1.
What is the InChIKey of N-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is GZYSVKDZRHJNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-3-4-5-7-12-10(14)11-13-8-6-9-15-11/h2-9H2,1H3,(H,12,14).
What are the key properties of N-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
N-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 20523758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).