4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine

C22H38NO8P — CID 59290014

IUPAC4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine
SMILESCOCCOCCOCCOCCOP(=O)(OCCc1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C22H38NO8P/c1-21-3-5-22(6-4-21)7-10-30-32(24,23-8-11-26-12-9-23)31-20-19-29-18-17-28-16-15-27-14-13-25-2/h3-6H,7-20H2,1-2H3
InChIKeyCKBHJDHEAIIALZ-UHFFFAOYSA-N
MW475.52 g/mol
LogP2.71
Rot. Bonds18

About 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine

4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine (PubChem CID 59290014) has the molecular formula C22H38NO8P and a molecular weight of 475.52 g/mol. Its IUPAC name is 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine.

Molecular Properties

Compound Name4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine
PubChem CID59290014
Molecular FormulaC22H38NO8P
Molecular Weight475.52 g/mol
Exact Mass475.23
IUPAC Name4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine
SMILESCOCCOCCOCCOCCOP(=O)(OCCc1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C22H38NO8P/c1-21-3-5-22(6-4-21)7-10-30-32(24,23-8-11-26-12-9-23)31-20-19-29-18-17-28-16-15-27-14-13-25-2/h3-6H,7-20H2,1-2H3
InChIKeyCKBHJDHEAIIALZ-UHFFFAOYSA-N
XLogP2.71
TPSA84.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 52.71
H-Bond Donors ≤ 50
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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Related Compounds

methylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane
CID 139470566
1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine
CID 69086607
N-dimorpholin-4-ylphosphoryl-4-methylaniline
CID 139064039
1-(2-dinitrosophosphoryloxyethyl)-4-methylbenzene
CID 139470567
2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethyl morpholine-4-carboxylate
CID 156867276
2-(4-acetylphenyl)ethyl ethyl morpholin-4-ylmethyl phosphate
CID 139470564
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 90150489
2-(4-morpholin-4-ylphenyl)ethyl methanesulfonate
CID 22934161
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
2-(4-methylphenyl)ethyl nitrate
CID 54378614
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 123132120

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine?
The IUPAC name of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine (CID 59290014) is 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine.
What is the SMILES notation for 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine?
The canonical SMILES for 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine is COCCOCCOCCOCCOP(=O)(OCCc1ccc(C)cc1)N1CCOCC1.
What is the InChIKey of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine?
The InChIKey is CKBHJDHEAIIALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38NO8P/c1-21-3-5-22(6-4-21)7-10-30-32(24,23-8-11-26-12-9-23)31-20-19-29-18-17-28-16-15-27-14-13-25-2/h3-6H,7-20H2,1-2H3.
What are the key properties of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine?
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine has a molecular weight of 475.52 g/mol, XLogP of 2.71, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-[2-(4-methylphenyl)ethoxy]phosphoryl]morpholine is sourced from PubChem (CID 59290014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).