N-(oxan-3-ylmethyl)non-2-enamide

C15H27NO2 — CID 78143805

IUPACN-(oxan-3-ylmethyl)non-2-enamide
SMILESCCCCCCC=CC(=O)NCC1CCCOC1
InChIInChI=1S/C15H27NO2/c1-2-3-4-5-6-7-10-15(17)16-12-14-9-8-11-18-13-14/h7,10,14H,2-6,8-9,11-13H2,1H3,(H,16,17)
InChIKeyYUZBZTVMNVTALE-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.06
Rot. Bonds8

About N-(oxan-3-ylmethyl)non-2-enamide

N-(oxan-3-ylmethyl)non-2-enamide (PubChem CID 78143805) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)non-2-enamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)non-2-enamide
PubChem CID78143805
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(oxan-3-ylmethyl)non-2-enamide
SMILESCCCCCCC=CC(=O)NCC1CCCOC1
InChIInChI=1S/C15H27NO2/c1-2-3-4-5-6-7-10-15(17)16-12-14-9-8-11-18-13-14/h7,10,14H,2-6,8-9,11-13H2,1H3,(H,16,17)
InChIKeyYUZBZTVMNVTALE-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.06
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-(oxan-3-ylmethyl)non-2-enamide?
The IUPAC name of N-(oxan-3-ylmethyl)non-2-enamide (CID 78143805) is N-(oxan-3-ylmethyl)non-2-enamide.
What is the SMILES notation for N-(oxan-3-ylmethyl)non-2-enamide?
The canonical SMILES for N-(oxan-3-ylmethyl)non-2-enamide is CCCCCCC=CC(=O)NCC1CCCOC1.
What is the InChIKey of N-(oxan-3-ylmethyl)non-2-enamide?
The InChIKey is YUZBZTVMNVTALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-3-4-5-6-7-10-15(17)16-12-14-9-8-11-18-13-14/h7,10,14H,2-6,8-9,11-13H2,1H3,(H,16,17).
What are the key properties of N-(oxan-3-ylmethyl)non-2-enamide?
N-(oxan-3-ylmethyl)non-2-enamide has a molecular weight of 253.39 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)non-2-enamide is sourced from PubChem (CID 78143805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).