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

C14H23NO3 — CID 123337563

IUPACN-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide
SMILESCCCCCC=CC=CC(=O)NCC1COCO1
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-14(16)15-10-13-11-17-12-18-13/h6-9,13H,2-5,10-12H2,1H3,(H,15,16)
InChIKeyVZJCGXNMZNDYMR-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.17
Rot. Bonds8

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

N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide (PubChem CID 123337563) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide.

Molecular Properties

Compound NameN-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide
PubChem CID123337563
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide
SMILESCCCCCC=CC=CC(=O)NCC1COCO1
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-14(16)15-10-13-11-17-12-18-13/h6-9,13H,2-5,10-12H2,1H3,(H,15,16)
InChIKeyVZJCGXNMZNDYMR-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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'}

Analyze N-(1,3-dioxolan-4-ylmethyl)deca-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-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide
CID 88990990
(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)-3,5-dimethylnon-2-enamide
CID 123426202
N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide
CID 123450483
N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide
CID 123557082
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-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide
CID 123701767

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide?
The IUPAC name of N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide (CID 123337563) is N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide.
What is the SMILES notation for N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide?
The canonical SMILES for N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide is CCCCCC=CC=CC(=O)NCC1COCO1.
What is the InChIKey of N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide?
The InChIKey is VZJCGXNMZNDYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-14(16)15-10-13-11-17-12-18-13/h6-9,13H,2-5,10-12H2,1H3,(H,15,16).
What are the key properties of N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide?
N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide has a molecular weight of 253.34 g/mol, XLogP of 2.17, 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)deca-2,4-dienamide is sourced from PubChem (CID 123337563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).