N-(1,3-dioxolan-4-ylmethyl)-3,5-dimethylnon-2-enamide

C15H27NO3 — CID 123426202

IUPACN-(1,3-dioxolan-4-ylmethyl)-3,5-dimethylnon-2-enamide
SMILESCCCCC(C)CC(C)=CC(=O)NCC1COCO1
InChIInChI=1S/C15H27NO3/c1-4-5-6-12(2)7-13(3)8-15(17)16-9-14-10-18-11-19-14/h8,12,14H,4-7,9-11H2,1-3H3,(H,16,17)
InChIKeyBSQDKMCVCDRFCJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.64
Rot. Bonds8

About N-(1,3-dioxolan-4-ylmethyl)-3,5-dimethylnon-2-enamide

N-(1,3-dioxolan-4-ylmethyl)-3,5-dimethylnon-2-enamide (PubChem CID 123426202) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-(1,3-dioxolan-4-ylmethyl)-3,5-dimethylnon-2-enamide.

Molecular Properties

Compound NameN-(1,3-dioxolan-4-ylmethyl)-3,5-dimethylnon-2-enamide
PubChem CID123426202
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-(1,3-dioxolan-4-ylmethyl)-3,5-dimethylnon-2-enamide
SMILESCCCCC(C)CC(C)=CC(=O)NCC1COCO1
InChIInChI=1S/C15H27NO3/c1-4-5-6-12(2)7-13(3)8-15(17)16-9-14-10-18-11-19-14/h8,12,14H,4-7,9-11H2,1-3H3,(H,16,17)
InChIKeyBSQDKMCVCDRFCJ-UHFFFAOYSA-N
XLogP2.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(1,3-dioxolan-4-ylmethyl)-3,5-dimethylnon-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-4-ylmethyl)-3,5-dimethylnon-2-enamide?
The IUPAC name of N-(1,3-dioxolan-4-ylmethyl)-3,5-dimethylnon-2-enamide (CID 123426202) is N-(1,3-dioxolan-4-ylmethyl)-3,5-dimethylnon-2-enamide.
What is the SMILES notation for N-(1,3-dioxolan-4-ylmethyl)-3,5-dimethylnon-2-enamide?
The canonical SMILES for N-(1,3-dioxolan-4-ylmethyl)-3,5-dimethylnon-2-enamide is CCCCC(C)CC(C)=CC(=O)NCC1COCO1.
What is the InChIKey of N-(1,3-dioxolan-4-ylmethyl)-3,5-dimethylnon-2-enamide?
The InChIKey is BSQDKMCVCDRFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-5-6-12(2)7-13(3)8-15(17)16-9-14-10-18-11-19-14/h8,12,14H,4-7,9-11H2,1-3H3,(H,16,17).
What are the key properties of N-(1,3-dioxolan-4-ylmethyl)-3,5-dimethylnon-2-enamide?
N-(1,3-dioxolan-4-ylmethyl)-3,5-dimethylnon-2-enamide has a molecular weight of 269.38 g/mol, XLogP of 2.64, 8 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)-3,5-dimethylnon-2-enamide is sourced from PubChem (CID 123426202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).