N-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine

C63H119FN3O11P — CID 148916038

IUPACN-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine
SMILESCCCCCCCCCCCCCCCCCCOc1cc(C/N=C/C(COCCOCCOCCOCCOCCOCCOCCOCCP(C)(=O)F)=NN)cc(OCCCCCCCCCCCCCCCCCC)c1
InChIInChI=1S/C63H119FN3O11P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-77-62-54-60(55-63(56-62)78-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)57-66-58-61(67-65)59-76-51-50-74-47-46-72-43-42-70-39-38-69-40-41-71-44-45-73-48-49-75-52-53-79(3,64)68/h54-56,58H,4-53,57,59,65H2,1-3H3/b66-58+,67-61?
InChIKeyNHMNJIYHWVUJBS-VXMCJYLXSA-N
MW1144.63 g/mol
LogP15.86
Rot. Bonds65

About N-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine

N-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine (PubChem CID 148916038) has the molecular formula C63H119FN3O11P and a molecular weight of 1144.63 g/mol. Its IUPAC name is N-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine.

Molecular Properties

Compound NameN-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine
PubChem CID148916038
Molecular FormulaC63H119FN3O11P
Molecular Weight1144.63 g/mol
Exact Mass1143.86
IUPAC NameN-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine
SMILESCCCCCCCCCCCCCCCCCCOc1cc(C/N=C/C(COCCOCCOCCOCCOCCOCCOCCOCCP(C)(=O)F)=NN)cc(OCCCCCCCCCCCCCCCCCC)c1
InChIInChI=1S/C63H119FN3O11P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-77-62-54-60(55-63(56-62)78-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)57-66-58-61(67-65)59-76-51-50-74-47-46-72-43-42-70-39-38-69-40-41-71-44-45-73-48-49-75-52-53-79(3,64)68/h54-56,58H,4-53,57,59,65H2,1-3H3/b66-58+,67-61?
InChIKeyNHMNJIYHWVUJBS-VXMCJYLXSA-N
XLogP15.86
TPSA160.11 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds65
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001144.63
LogP ≤ 515.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(chloromethyl)-3,5-di(nonoxy)benzene
CID 69306580
(3,5-dipentoxyphenyl)methanol
CID 121005447
[3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol
CID 67507886
1-butyl-3,5-di(octacosoxy)benzene
CID 91381222
1-butyl-3,5-diheptoxybenzene
CID 91325989
1-butyl-3,5-di(undecoxy)benzene
CID 173166651
(3-docosoxy-5-methoxyphenyl)methanol
CID 155440608
1-[3-(hydroxymethyl)-5-octoxyphenoxy]heptan-2-one
CID 59029684
ethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine
CID 166558266
[3-(hydroxymethyl)-5-pentoxyphenyl]methanol;propane
CID 169256035
N-[(3,5-dioctoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 101427834
(3-dodecoxy-5-octadecoxyphenyl)methyl 4-bromobutanoate
CID 166142824

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine?
The IUPAC name of N-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine (CID 148916038) is N-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine.
What is the SMILES notation for N-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine?
The canonical SMILES for N-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine is CCCCCCCCCCCCCCCCCCOc1cc(C/N=C/C(COCCOCCOCCOCCOCCOCCOCCOCCP(C)(=O)F)=NN)cc(OCCCCCCCCCCCCCCCCCC)c1.
What is the InChIKey of N-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine?
The InChIKey is NHMNJIYHWVUJBS-VXMCJYLXSA-N. The full InChI is InChI=1S/C63H119FN3O11P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-77-62-54-60(55-63(56-62)78-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)57-66-58-61(67-65)59-76-51-50-74-47-46-72-43-42-70-39-38-69-40-41-71-44-45-73-48-49-75-52-53-79(3,64)68/h54-56,58H,4-53,57,59,65H2,1-3H3/b66-58+,67-61?.
What are the key properties of N-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine?
N-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine has a molecular weight of 1144.63 g/mol, XLogP of 15.86, 65 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine is sourced from PubChem (CID 148916038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).