N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide

C24H42N2O — CID 90799931

IUPACN-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCN(C)C
InChIInChI=1S/C24H42N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26(2)3/h8-9,11-12,14-15,17-18H,4-7,10,13,16,19-23H2,1-3H3,(H,25,27)
InChIKeyBQLRDSSIHLJBIT-UHFFFAOYSA-N
MW374.61 g/mol
LogP5.81
Rot. Bonds17

About N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide

N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide (PubChem CID 90799931) has the molecular formula C24H42N2O and a molecular weight of 374.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide
PubChem CID90799931
Molecular FormulaC24H42N2O
Molecular Weight374.61 g/mol
Exact Mass374.33
IUPAC NameN-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCN(C)C
InChIInChI=1S/C24H42N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26(2)3/h8-9,11-12,14-15,17-18H,4-7,10,13,16,19-23H2,1-3H3,(H,25,27)
InChIKeyBQLRDSSIHLJBIT-UHFFFAOYSA-N
XLogP5.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 55.81
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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Related Compounds

(E)-N-[2-(dimethylamino)ethyl]non-4-enamide
CID 102117820
3-[2-(dimethylamino)ethyl-[3-[[(9Z,12Z)-octadeca-9,12-dienyl]amino]-3-oxopropyl]amino]-N-[(9Z,12Z)-octadeca-9,12-dienyl]propanamide
CID 164813974
(5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide
CID 137455017
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
(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-[bis[2-(octadec-9-enoylamino)ethyl]amino]ethyl]octadec-9-enamide
CID 85077312
(9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide
CID 155472776
(E)-N-[2-(dimethylamino)ethyl]oct-4-enamide
CID 102117814
N-[(octadeca-9,12-dienoylamino)methyl]octadeca-9,12-dienamide
CID 54300441

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide (CID 90799931) is N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide is CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide?
The InChIKey is BQLRDSSIHLJBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26(2)3/h8-9,11-12,14-15,17-18H,4-7,10,13,16,19-23H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide?
N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide has a molecular weight of 374.61 g/mol, XLogP of 5.81, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 90799931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).