(5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide

C26H43NO3 — CID 23625076

IUPAC(5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C26H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)27-22-24-23-29-26(2,3)30-24/h8-9,11-12,14-15,17-18,24H,4-7,10,13,16,19-23H2,1-3H3,(H,27,28)/b9-8-,12-11-,15-14-,18-17-
InChIKeyCZMHRLSQLJOUTI-GKFVBPDJSA-N
MW417.63 g/mol
LogP6.40
Rot. Bonds16

About (5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide (PubChem CID 23625076) has the molecular formula C26H43NO3 and a molecular weight of 417.63 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide
PubChem CID23625076
Molecular FormulaC26H43NO3
Molecular Weight417.63 g/mol
Exact Mass417.32
IUPAC Name(5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C26H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)27-22-24-23-29-26(2,3)30-24/h8-9,11-12,14-15,17-18,24H,4-7,10,13,16,19-23H2,1-3H3,(H,27,28)/b9-8-,12-11-,15-14-,18-17-
InChIKeyCZMHRLSQLJOUTI-GKFVBPDJSA-N
XLogP6.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.63
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide 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 (5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide (CID 23625076) is (5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC1COC(C)(C)O1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide?
The InChIKey is CZMHRLSQLJOUTI-GKFVBPDJSA-N. The full InChI is InChI=1S/C26H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)27-22-24-23-29-26(2,3)30-24/h8-9,11-12,14-15,17-18,24H,4-7,10,13,16,19-23H2,1-3H3,(H,27,28)/b9-8-,12-11-,15-14-,18-17-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide has a molecular weight of 417.63 g/mol, XLogP of 6.40, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 23625076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).