N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide

C19H35F3N3O6P — CID 88925286

IUPACN-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide
SMILESCC(C)N(C(C)C)P(OCCC#N)OCCOCCOCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C19H35F3N3O6P/c1-16(2)25(17(3)4)32(30-8-5-6-23)31-15-14-29-13-12-28-11-10-27-9-7-24-18(26)19(20,21)22/h16-17H,5,7-15H2,1-4H3,(H,24,26)
InChIKeyNFIAUYHOGRWWBX-UHFFFAOYSA-N
MW489.47 g/mol
LogP3.01
Rot. Bonds19

About N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide

N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 88925286) has the molecular formula C19H35F3N3O6P and a molecular weight of 489.47 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide
PubChem CID88925286
Molecular FormulaC19H35F3N3O6P
Molecular Weight489.47 g/mol
Exact Mass489.22
IUPAC NameN-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide
SMILESCC(C)N(C(C)C)P(OCCC#N)OCCOCCOCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C19H35F3N3O6P/c1-16(2)25(17(3)4)32(30-8-5-6-23)31-15-14-29-13-12-28-11-10-27-9-7-24-18(26)19(20,21)22/h16-17H,5,7-15H2,1-4H3,(H,24,26)
InChIKeyNFIAUYHOGRWWBX-UHFFFAOYSA-N
XLogP3.01
TPSA102.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide (CID 88925286) is N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide is CC(C)N(C(C)C)P(OCCC#N)OCCOCCOCCOCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is NFIAUYHOGRWWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F3N3O6P/c1-16(2)25(17(3)4)32(30-8-5-6-23)31-15-14-29-13-12-28-11-10-27-9-7-24-18(26)19(20,21)22/h16-17H,5,7-15H2,1-4H3,(H,24,26).
What are the key properties of N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 489.47 g/mol, XLogP of 3.01, 19 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 88925286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).