N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide

C14H23NO3 — CID 123450483

IUPACN-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide
SMILESCCCCC=CC(C)=CC(=O)NCC1COCO1
InChIInChI=1S/C14H23NO3/c1-3-4-5-6-7-12(2)8-14(16)15-9-13-10-17-11-18-13/h6-8,13H,3-5,9-11H2,1-2H3,(H,15,16)
InChIKeyASKOCWUQXNGFKE-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.17
Rot. Bonds7

About N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide

N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide (PubChem CID 123450483) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide.

Molecular Properties

Compound NameN-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide
PubChem CID123450483
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide
SMILESCCCCC=CC(C)=CC(=O)NCC1COCO1
InChIInChI=1S/C14H23NO3/c1-3-4-5-6-7-12(2)8-14(16)15-9-13-10-17-11-18-13/h6-8,13H,3-5,9-11H2,1-2H3,(H,15,16)
InChIKeyASKOCWUQXNGFKE-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.17
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide?
The IUPAC name of N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide (CID 123450483) is N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide.
What is the SMILES notation for N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide?
The canonical SMILES for N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide is CCCCC=CC(C)=CC(=O)NCC1COCO1.
What is the InChIKey of N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide?
The InChIKey is ASKOCWUQXNGFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-4-5-6-7-12(2)8-14(16)15-9-13-10-17-11-18-13/h6-8,13H,3-5,9-11H2,1-2H3,(H,15,16).
What are the key properties of N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide?
N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide has a molecular weight of 253.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide is sourced from PubChem (CID 123450483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).