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

C18H36N3O6P — CID 171812022

IUPACN-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]formamide
SMILESCC(C)N(C(C)C)P(OCCC#N)OCCOCCOCCOCCNC=O
InChIInChI=1S/C18H36N3O6P/c1-17(2)21(18(3)4)28(26-8-5-6-19)27-15-14-25-13-12-24-11-10-23-9-7-20-16-22/h16-18H,5,7-15H2,1-4H3,(H,20,22)
InChIKeyAZIRDLKRGBPVFZ-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.07
Rot. Bonds20

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

N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]formamide (PubChem CID 171812022) has the molecular formula C18H36N3O6P and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]formamide
PubChem CID171812022
Molecular FormulaC18H36N3O6P
Molecular Weight421.48 g/mol
Exact Mass421.23
IUPAC NameN-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]formamide
SMILESCC(C)N(C(C)C)P(OCCC#N)OCCOCCOCCOCCNC=O
InChIInChI=1S/C18H36N3O6P/c1-17(2)21(18(3)4)28(26-8-5-6-19)27-15-14-25-13-12-24-11-10-23-9-7-20-16-22/h16-18H,5,7-15H2,1-4H3,(H,20,22)
InChIKeyAZIRDLKRGBPVFZ-UHFFFAOYSA-N
XLogP2.07
TPSA102.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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]formamide?
The IUPAC name of N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]formamide (CID 171812022) is N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]formamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]formamide is CC(C)N(C(C)C)P(OCCC#N)OCCOCCOCCOCCNC=O.
What is the InChIKey of N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]formamide?
The InChIKey is AZIRDLKRGBPVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N3O6P/c1-17(2)21(18(3)4)28(26-8-5-6-19)27-15-14-25-13-12-24-11-10-23-9-7-20-16-22/h16-18H,5,7-15H2,1-4H3,(H,20,22).
What are the key properties of N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]formamide?
N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]formamide has a molecular weight of 421.48 g/mol, XLogP of 2.07, 20 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]formamide is sourced from PubChem (CID 171812022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).