N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide

C23H39NO2 — CID 54380110

IUPACN-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCCNC(=O)COC
InChIInChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-23(25)22-26-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3,(H,24,25)
InChIKeyUZHNKFQIZVAMSW-UHFFFAOYSA-N
MW361.57 g/mol
LogP5.89
Rot. Bonds17

About N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide

N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide (PubChem CID 54380110) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide.

Molecular Properties

Compound NameN-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide
PubChem CID54380110
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC NameN-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCCNC(=O)COC
InChIInChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-23(25)22-26-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3,(H,24,25)
InChIKeyUZHNKFQIZVAMSW-UHFFFAOYSA-N
XLogP5.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide?
The IUPAC name of N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide (CID 54380110) is N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide.
What is the SMILES notation for N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide?
The canonical SMILES for N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide is CCCCCC=CCC=CCC=CCC=CCCCCNC(=O)COC.
What is the InChIKey of N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide?
The InChIKey is UZHNKFQIZVAMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-23(25)22-26-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3,(H,24,25).
What are the key properties of N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide?
N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide has a molecular weight of 361.57 g/mol, XLogP of 5.89, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide is sourced from PubChem (CID 54380110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).