N-icosa-5,8,11,14-tetraenylcyclopropanecarboxamide

C24H39NO — CID 54098260

IUPACN-icosa-5,8,11,14-tetraenylcyclopropanecarboxamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCCNC(=O)C1CC1
InChIInChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-24(26)23-20-21-23/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-22H2,1H3,(H,25,26)
InChIKeyMYRSSBKXMNZAPQ-UHFFFAOYSA-N
MW357.58 g/mol
LogP6.66
Rot. Bonds16

About N-icosa-5,8,11,14-tetraenylcyclopropanecarboxamide

N-icosa-5,8,11,14-tetraenylcyclopropanecarboxamide (PubChem CID 54098260) has the molecular formula C24H39NO and a molecular weight of 357.58 g/mol. Its IUPAC name is N-icosa-5,8,11,14-tetraenylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-icosa-5,8,11,14-tetraenylcyclopropanecarboxamide
PubChem CID54098260
Molecular FormulaC24H39NO
Molecular Weight357.58 g/mol
Exact Mass357.30
IUPAC NameN-icosa-5,8,11,14-tetraenylcyclopropanecarboxamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCCNC(=O)C1CC1
InChIInChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-24(26)23-20-21-23/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-22H2,1H3,(H,25,26)
InChIKeyMYRSSBKXMNZAPQ-UHFFFAOYSA-N
XLogP6.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.58
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-tetraenylcyclopropanecarboxamide?
The IUPAC name of N-icosa-5,8,11,14-tetraenylcyclopropanecarboxamide (CID 54098260) is N-icosa-5,8,11,14-tetraenylcyclopropanecarboxamide.
What is the SMILES notation for N-icosa-5,8,11,14-tetraenylcyclopropanecarboxamide?
The canonical SMILES for N-icosa-5,8,11,14-tetraenylcyclopropanecarboxamide is CCCCCC=CCC=CCC=CCC=CCCCCNC(=O)C1CC1.
What is the InChIKey of N-icosa-5,8,11,14-tetraenylcyclopropanecarboxamide?
The InChIKey is MYRSSBKXMNZAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-24(26)23-20-21-23/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-22H2,1H3,(H,25,26).
What are the key properties of N-icosa-5,8,11,14-tetraenylcyclopropanecarboxamide?
N-icosa-5,8,11,14-tetraenylcyclopropanecarboxamide has a molecular weight of 357.58 g/mol, XLogP of 6.66, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-icosa-5,8,11,14-tetraenylcyclopropanecarboxamide is sourced from PubChem (CID 54098260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).