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

C13H24N2O2 — CID 20523797

IUPACN-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESCCCCCCCCNC(=O)C1=NCCCO1
InChIInChI=1S/C13H24N2O2/c1-2-3-4-5-6-7-9-14-12(16)13-15-10-8-11-17-13/h2-11H2,1H3,(H,14,16)
InChIKeyZNPUGROCYZIDMO-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.28
Rot. Bonds8

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

N-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (PubChem CID 20523797) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.

Molecular Properties

Compound NameN-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
PubChem CID20523797
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
SMILESCCCCCCCCNC(=O)C1=NCCCO1
InChIInChI=1S/C13H24N2O2/c1-2-3-4-5-6-7-9-14-12(16)13-15-10-8-11-17-13/h2-11H2,1H3,(H,14,16)
InChIKeyZNPUGROCYZIDMO-UHFFFAOYSA-N
XLogP2.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.28
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

N'-decyl-3-oxapentane-1,5-diamide
CID 87580811
N'-tetradecyl-3-oxapentanediamide
CID 88314350
N-heptyl-2-methoxyacetamide
CID 90291620
n-Octyl diglycolamide
CID 129831471
Ethylhexyl diglycolamide
CID 129821394
2,2'-Oxybis(n-dodecylacetamide)
CID 129831600
Hexyl diglycolamide
CID 168430100
N,N-dioctyl-2-(2-(octylamino)-2-oxoethoxy)acetamide
CID 172678045
2-ethoxy-N-heptylacetamide
CID 4616582
2-ethoxy-N-hexylacetamide
CID 5161828
N,Na(2)-1,6-Hexanediylbis[4,5-dihydro-2-oxazolecarboxamide]
CID 18347274
N-pentyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523756

Frequently Asked Questions

What is the IUPAC name of N-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The IUPAC name of N-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide (CID 20523797) is N-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide.
What is the SMILES notation for N-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The canonical SMILES for N-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is CCCCCCCCNC(=O)C1=NCCCO1.
What is the InChIKey of N-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
The InChIKey is ZNPUGROCYZIDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-3-4-5-6-7-9-14-12(16)13-15-10-8-11-17-13/h2-11H2,1H3,(H,14,16).
What are the key properties of N-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide?
N-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide is sourced from PubChem (CID 20523797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).