(5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide

C33H52N5O5P — CID 144762834

IUPAC(5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCNP(OCC)OCC1CCC(n2cnc(C)nc2=O)O1
InChIInChI=1S/C33H52N5O5P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31(39)34-25-26-36-44(41-5-2)42-27-30-23-24-32(43-30)38-28-35-29(3)37-33(38)40/h6-7,9-10,12-13,15-16,18-19,28,30,32,36H,4-5,8,11,14,17,20-27H2,1-3H3,(H,34,39)/b7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyUQPLBIOKJVQXQB-WMPRHZDHSA-N
MW629.78 g/mol
LogP6.53
Rot. Bonds23

About (5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide

(5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide (PubChem CID 144762834) has the molecular formula C33H52N5O5P and a molecular weight of 629.78 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
PubChem CID144762834
Molecular FormulaC33H52N5O5P
Molecular Weight629.78 g/mol
Exact Mass629.37
IUPAC Name(5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCNP(OCC)OCC1CCC(n2cnc(C)nc2=O)O1
InChIInChI=1S/C33H52N5O5P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31(39)34-25-26-36-44(41-5-2)42-27-30-23-24-32(43-30)38-28-35-29(3)37-33(38)40/h6-7,9-10,12-13,15-16,18-19,28,30,32,36H,4-5,8,11,14,17,20-27H2,1-3H3,(H,34,39)/b7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyUQPLBIOKJVQXQB-WMPRHZDHSA-N
XLogP6.53
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.78
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide?
The IUPAC name of (5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide (CID 144762834) is (5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCNP(OCC)OCC1CCC(n2cnc(C)nc2=O)O1.
What is the InChIKey of (5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide?
The InChIKey is UQPLBIOKJVQXQB-WMPRHZDHSA-N. The full InChI is InChI=1S/C33H52N5O5P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31(39)34-25-26-36-44(41-5-2)42-27-30-23-24-32(43-30)38-28-35-29(3)37-33(38)40/h6-7,9-10,12-13,15-16,18-19,28,30,32,36H,4-5,8,11,14,17,20-27H2,1-3H3,(H,34,39)/b7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of (5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide?
(5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide has a molecular weight of 629.78 g/mol, XLogP of 6.53, 23 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z,17Z)-N-[2-[[ethoxy-[[5-(4-methyl-2-oxo-1,3,5-triazin-1-yl)oxolan-2-yl]methoxy]phosphanyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide is sourced from PubChem (CID 144762834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).