N-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide

C24H38N2O — CID 57169591

IUPACN-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCN
InChIInChI=1S/C24H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)26-23-22-25/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23,25H2,1H3,(H,26,27)
InChIKeyOLKGPWJMBFCYEX-UHFFFAOYSA-N
MW370.58 g/mol
LogP5.54
Rot. Bonds16

About N-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide

N-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 57169591) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is N-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound NameN-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide
PubChem CID57169591
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC NameN-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCN
InChIInChI=1S/C24H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)26-23-22-25/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23,25H2,1H3,(H,26,27)
InChIKeyOLKGPWJMBFCYEX-UHFFFAOYSA-N
XLogP5.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of N-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide (CID 57169591) is N-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for N-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for N-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide is CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is OLKGPWJMBFCYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)26-23-22-25/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23,25H2,1H3,(H,26,27).
What are the key properties of N-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide?
N-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 370.58 g/mol, XLogP of 5.54, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 57169591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).