(5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide

C24H38N2O3 — CID 88921714

IUPAC(5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\CC=CC/C=C\C/C=C\CCCC(=O)NCCOCC(N)=O
InChIInChI=1S/C24H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)26-20-21-29-22-23(25)27/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-22H2,1H3,(H2,25,27)(H,26,28)/b4-3-,7-6-,10-9?,13-12-,16-15-
InChIKeyMGFUWMUBLZNTFH-AVVVFXBPSA-N
MW402.58 g/mol
LogP4.53
Rot. Bonds18

About (5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide

(5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide (PubChem CID 88921714) has the molecular formula C24H38N2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is (5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide.

Molecular Properties

Compound Name(5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide
PubChem CID88921714
Molecular FormulaC24H38N2O3
Molecular Weight402.58 g/mol
Exact Mass402.29
IUPAC Name(5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\CC=CC/C=C\C/C=C\CCCC(=O)NCCOCC(N)=O
InChIInChI=1S/C24H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)26-20-21-29-22-23(25)27/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-22H2,1H3,(H2,25,27)(H,26,28)/b4-3-,7-6-,10-9?,13-12-,16-15-
InChIKeyMGFUWMUBLZNTFH-AVVVFXBPSA-N
XLogP4.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide?
The IUPAC name of (5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide (CID 88921714) is (5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide.
What is the SMILES notation for (5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide?
The canonical SMILES for (5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide is CC/C=C\C/C=C\CC=CC/C=C\C/C=C\CCCC(=O)NCCOCC(N)=O.
What is the InChIKey of (5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide?
The InChIKey is MGFUWMUBLZNTFH-AVVVFXBPSA-N. The full InChI is InChI=1S/C24H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)26-20-21-29-22-23(25)27/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-22H2,1H3,(H2,25,27)(H,26,28)/b4-3-,7-6-,10-9?,13-12-,16-15-.
What are the key properties of (5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide?
(5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide has a molecular weight of 402.58 g/mol, XLogP of 4.53, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide is sourced from PubChem (CID 88921714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).