[[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone

C22H30NO4P — CID 144801539

IUPAC[[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCCOCCOCCNP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C22H30NO4P/c1-5-26-13-14-27-12-11-23-28(25,20-9-7-6-8-10-20)22(24)21-18(3)15-17(2)16-19(21)4/h6-10,15-16H,5,11-14H2,1-4H3,(H,23,25)
InChIKeyLUSWTOXZJVNUEA-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.00
Rot. Bonds11

About [[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone

[[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 144801539) has the molecular formula C22H30NO4P and a molecular weight of 403.46 g/mol. Its IUPAC name is [[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID144801539
Molecular FormulaC22H30NO4P
Molecular Weight403.46 g/mol
Exact Mass403.19
IUPAC Name[[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCCOCCOCCNP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C22H30NO4P/c1-5-26-13-14-27-12-11-23-28(25,20-9-7-6-8-10-20)22(24)21-18(3)15-17(2)16-19(21)4/h6-10,15-16H,5,11-14H2,1-4H3,(H,23,25)
InChIKeyLUSWTOXZJVNUEA-UHFFFAOYSA-N
XLogP4.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 59630158
[ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 161461233
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
[2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 58752978
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
CID 21343895
CID 157152357
CID 157152357
[(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 18983511
[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 155797932
2-chloro-1-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]ethanone
CID 140903554
[(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 18983505

Frequently Asked Questions

What is the IUPAC name of [[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 144801539) is [[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone is CCOCCOCCNP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1.
What is the InChIKey of [[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is LUSWTOXZJVNUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30NO4P/c1-5-26-13-14-27-12-11-23-28(25,20-9-7-6-8-10-20)22(24)21-18(3)15-17(2)16-19(21)4/h6-10,15-16H,5,11-14H2,1-4H3,(H,23,25).
What are the key properties of [[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
[[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 403.46 g/mol, XLogP of 4.00, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 144801539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).