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

C13H21NO3 — CID 123557082

IUPACN-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide
SMILESCCCCC=CC=CC(=O)NCC1OCCO1
InChIInChI=1S/C13H21NO3/c1-2-3-4-5-6-7-8-12(15)14-11-13-16-9-10-17-13/h5-8,13H,2-4,9-11H2,1H3,(H,14,15)
InChIKeyPVOUUEQGDFJCST-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.78
Rot. Bonds7

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

N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide (PubChem CID 123557082) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide
PubChem CID123557082
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide
SMILESCCCCC=CC=CC(=O)NCC1OCCO1
InChIInChI=1S/C13H21NO3/c1-2-3-4-5-6-7-8-12(15)14-11-13-16-9-10-17-13/h5-8,13H,2-4,9-11H2,1H3,(H,14,15)
InChIKeyPVOUUEQGDFJCST-UHFFFAOYSA-N
XLogP1.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.78
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'}

Analyze N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide with MolForge

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

Launch Full Analysis

Related Compounds

(2E,4E)-N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide
CID 88991029
(2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide
CID 88991076
(2E,4E)-N-(1,3-dioxolan-2-ylmethyl)-3-methylnona-2,4-dienamide
CID 88991130
(2E,4E)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide
CID 88991160
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide
CID 123257806
N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide
CID 123337563
N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide
CID 123450483
N-(1,3-dioxolan-2-ylmethyl)-3-methylnona-2,4-dienamide
CID 123566981
N-(1,3-dioxolan-4-ylmethyl)nona-2,4-dienamide
CID 123611494
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide
CID 123825073
(2E,4E)-N-(1,3-dioxol-4-ylmethyl)deca-2,4-dienamide
CID 141343515
(2E,4E)-N-(1,3-dioxol-4-ylmethyl)nona-2,4-dienamide
CID 141343517

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide (CID 123557082) is N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide is CCCCC=CC=CC(=O)NCC1OCCO1.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide?
The InChIKey is PVOUUEQGDFJCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-3-4-5-6-7-8-12(15)14-11-13-16-9-10-17-13/h5-8,13H,2-4,9-11H2,1H3,(H,14,15).
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide?
N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide has a molecular weight of 239.31 g/mol, XLogP of 1.78, 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-2-ylmethyl)nona-2,4-dienamide is sourced from PubChem (CID 123557082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).