N-(1,4-dioxan-2-ylmethyl)non-2-enamide

C14H25NO3 — CID 123897617

IUPACN-(1,4-dioxan-2-ylmethyl)non-2-enamide
SMILESCCCCCCC=CC(=O)NCC1COCCO1
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-14(16)15-11-13-12-17-9-10-18-13/h7-8,13H,2-6,9-12H2,1H3,(H,15,16)
InChIKeyGTPXKQVSZSPIGL-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.04
Rot. Bonds8

About N-(1,4-dioxan-2-ylmethyl)non-2-enamide

N-(1,4-dioxan-2-ylmethyl)non-2-enamide (PubChem CID 123897617) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)non-2-enamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)non-2-enamide
PubChem CID123897617
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-(1,4-dioxan-2-ylmethyl)non-2-enamide
SMILESCCCCCCC=CC(=O)NCC1COCCO1
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-14(16)15-11-13-12-17-9-10-18-13/h7-8,13H,2-6,9-12H2,1H3,(H,15,16)
InChIKeyGTPXKQVSZSPIGL-UHFFFAOYSA-N
XLogP2.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,4-dioxan-2-ylmethyl)non-2-enamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)non-2-enamide (CID 123897617) is N-(1,4-dioxan-2-ylmethyl)non-2-enamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)non-2-enamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)non-2-enamide is CCCCCCC=CC(=O)NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)non-2-enamide?
The InChIKey is GTPXKQVSZSPIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-14(16)15-11-13-12-17-9-10-18-13/h7-8,13H,2-6,9-12H2,1H3,(H,15,16).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)non-2-enamide?
N-(1,4-dioxan-2-ylmethyl)non-2-enamide has a molecular weight of 255.36 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)non-2-enamide is sourced from PubChem (CID 123897617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).