(4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide

C25H40N2O2 — CID 118722772

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCC(O)CN
InChIInChI=1S/C25H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)27-23-24(28)22-26/h3-4,6-7,9-10,12-13,15-16,18-19,24,28H,2,5,8,11,14,17,20-23,26H2,1H3,(H,27,29)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyFZDFYDFEKMGUTM-KUBAVDMBSA-N
MW400.61 g/mol
LogP4.90
Rot. Bonds17

About (4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide

(4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 118722772) has the molecular formula C25H40N2O2 and a molecular weight of 400.61 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide
PubChem CID118722772
Molecular FormulaC25H40N2O2
Molecular Weight400.61 g/mol
Exact Mass400.31
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCC(O)CN
InChIInChI=1S/C25H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)27-23-24(28)22-26/h3-4,6-7,9-10,12-13,15-16,18-19,24,28H,2,5,8,11,14,17,20-23,26H2,1H3,(H,27,29)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyFZDFYDFEKMGUTM-KUBAVDMBSA-N
XLogP4.90
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide with MolForge

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Related Compounds

(9Z,12Z)-N-(3-amino-2-hydroxypropyl)octadeca-9,12-dienamide
CID 135070978
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 53374072
N-(3-amino-2-hydroxypropyl)butanamide
CID 167081643
N-[2-(2-aminoethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 139676066
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 123821068
[2-hydroxy-3-[[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]amino]propyl] dihydrogen phosphate
CID 87977579
(5Z,8Z,11Z,14Z,17Z)-N-(2-aminoethyl)icosa-5,8,11,14,17-pentaenamide
CID 86696154
(3-amino-2-hydroxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 25006982
(5Z,8Z,11Z,14Z,17Z)-N-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
CID 53374375
methyl (E)-4-[[5-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]-3-hydroxypentyl]amino]-4-oxobut-2-enoate
CID 87351263
methyl 2-(docosa-4,7,10,13,16,19-hexaenoylamino)-4-methylpentanoate
CID 72539769
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethylsulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 140612585

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide (CID 118722772) is (4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCC(O)CN.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is FZDFYDFEKMGUTM-KUBAVDMBSA-N. The full InChI is InChI=1S/C25H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)27-23-24(28)22-26/h3-4,6-7,9-10,12-13,15-16,18-19,24,28H,2,5,8,11,14,17,20-23,26H2,1H3,(H,27,29)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide?
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 400.61 g/mol, XLogP of 4.90, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(3-amino-2-hydroxypropyl)docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 118722772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).