[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate

C19H41N2O7P — CID 171599714

IUPAC[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate
SMILES[2H]OCCOCCOCCOCCOCCOP(O/C=N/CC)N(C(C)C)C(C)C
InChIInChI=1S/C19H41N2O7P/c1-6-20-17-28-29(21(18(2)3)19(4)5)27-16-15-26-14-13-25-12-11-24-10-9-23-8-7-22/h17-19,22H,6-16H2,1-5H3/b20-17+/i22D
InChIKeyIELRPGPDAAWDBG-SAJMQSFNSA-N
MW441.52 g/mol
LogP2.47
Rot. Bonds22

About [2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate

[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate (PubChem CID 171599714) has the molecular formula C19H41N2O7P and a molecular weight of 441.52 g/mol. Its IUPAC name is [2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate.

Molecular Properties

Compound Name[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate
PubChem CID171599714
Molecular FormulaC19H41N2O7P
Molecular Weight441.52 g/mol
Exact Mass441.27
IUPAC Name[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate
SMILES[2H]OCCOCCOCCOCCOCCOP(O/C=N/CC)N(C(C)C)C(C)C
InChIInChI=1S/C19H41N2O7P/c1-6-20-17-28-29(21(18(2)3)19(4)5)27-16-15-26-14-13-25-12-11-24-10-9-23-8-7-22/h17-19,22H,6-16H2,1-5H3/b20-17+/i22D
InChIKeyIELRPGPDAAWDBG-SAJMQSFNSA-N
XLogP2.47
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate
CID 170258789
[2-[(3aR,7aS)-4,7-dimethyl-1,3-dioxo-3a,7a-dihydro-4,7-epoxyisoindol-2-yl]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate
CID 118461485
2-(2-deuteriooxyethoxy)ethoxy-dimethylphosphane
CID 59925693
(2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane
CID 159605554
2-(2-deuteriooxyethoxy)ethoxy-ethoxy-methylphosphane
CID 59925688
N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 89433387
[[2-(deuteriomethyl)-5-(3-nitropyrrol-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate
CID 176798964
S-[2-[2-bis[di(propan-2-yl)amino]phosphanyloxyethoxy]ethyl] 3-amino-2-methylbutanethioate
CID 89082742
N-[hexoxy(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 59518293
N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine
CID 24984157
N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide
CID 88925286
3-[3-deuteriooxypropoxy-[methyl(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 118027067

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate?
The IUPAC name of [2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate (CID 171599714) is [2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate.
What is the SMILES notation for [2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate?
The canonical SMILES for [2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate is [2H]OCCOCCOCCOCCOCCOP(O/C=N/CC)N(C(C)C)C(C)C.
What is the InChIKey of [2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate?
The InChIKey is IELRPGPDAAWDBG-SAJMQSFNSA-N. The full InChI is InChI=1S/C19H41N2O7P/c1-6-20-17-28-29(21(18(2)3)19(4)5)27-16-15-26-14-13-25-12-11-24-10-9-23-8-7-22/h17-19,22H,6-16H2,1-5H3/b20-17+/i22D.
What are the key properties of [2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate?
[2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate has a molecular weight of 441.52 g/mol, XLogP of 2.47, 22 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-[2-(2-deuteriooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy-[di(propan-2-yl)amino]phosphanyl] N-ethylmethanimidate is sourced from PubChem (CID 171599714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).