N-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide

C25H41NO — CID 2013

IUPACN-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCC1CC1
InChIInChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)26-23-22-24-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-23H2,1H3,(H,26,27)
InChIKeyKSLBVHPSPDQUBH-UHFFFAOYSA-N
MW371.61 g/mol
LogP7.05
Rot. Bonds17

About N-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide

N-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide (PubChem CID 2013) has the molecular formula C25H41NO and a molecular weight of 371.61 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide
PubChem CID2013
Molecular FormulaC25H41NO
Molecular Weight371.61 g/mol
Exact Mass371.32
IUPAC NameN-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCC1CC1
InChIInChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)26-23-22-24-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-23H2,1H3,(H,26,27)
InChIKeyKSLBVHPSPDQUBH-UHFFFAOYSA-N
XLogP7.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 57.05
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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Related Compounds

N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide
CID 1977
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)henicosa-5,8,11,14-tetraenamide
CID 5283459
N-(2-hydroxyethyl)icosa-5,8,11-trienamide
CID 4029
(5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide
CID 137455017
(5Z,8Z,11Z,14Z)-N-[2-[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethyldisulfanyl]ethyl]icosa-5,8,11,14-tetraenamide
CID 87921177
4-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]butanoic acid
CID 44634744
N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide
CID 90799931
(5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide
CID 124933455
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217
(5E,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide
CID 6380021
N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
CID 2186
N-[2-[2-[2-[2-(octadeca-9,12-dienoylamino)ethylamino]ethylamino]ethylamino]ethyl]octadeca-9,12-dienamide
CID 57356255

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of N-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide (CID 2013) is N-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for N-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for N-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide is CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCC1CC1.
What is the InChIKey of N-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is KSLBVHPSPDQUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)26-23-22-24-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-23H2,1H3,(H,26,27).
What are the key properties of N-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide?
N-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 371.61 g/mol, XLogP of 7.05, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 2013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).