[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone

C22H30NO4P — CID 59630158

IUPAC[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(OCCOCCN(C)C)c2ccccc2)c(C)c1
InChIInChI=1S/C22H30NO4P/c1-17-15-18(2)21(19(3)16-17)22(24)28(25,20-9-7-6-8-10-20)27-14-13-26-12-11-23(4)5/h6-10,15-16H,11-14H2,1-5H3
InChIKeyGARYUCHAPCBWFX-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.95
Rot. Bonds10

About [2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone

[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 59630158) has the molecular formula C22H30NO4P and a molecular weight of 403.46 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID59630158
Molecular FormulaC22H30NO4P
Molecular Weight403.46 g/mol
Exact Mass403.19
IUPAC Name[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(OCCOCCN(C)C)c2ccccc2)c(C)c1
InChIInChI=1S/C22H30NO4P/c1-17-15-18(2)21(19(3)16-17)22(24)28(25,20-9-7-6-8-10-20)27-14-13-26-12-11-23(4)5/h6-10,15-16H,11-14H2,1-5H3
InChIKeyGARYUCHAPCBWFX-UHFFFAOYSA-N
XLogP3.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 161461233
[(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 18983511
[(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 18983505
[[2-(2-ethoxyethoxy)ethylamino]-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 144801539
2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
CID 158594644
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
[2-[2-(2-hydroxypropoxy)ethoxy]ethoxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 90240840
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone
CID 118237088
[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

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 59630158) is [2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P(=O)(OCCOCCN(C)C)c2ccccc2)c(C)c1.
What is the InChIKey of [2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is GARYUCHAPCBWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30NO4P/c1-17-15-18(2)21(19(3)16-17)22(24)28(25,20-9-7-6-8-10-20)27-14-13-26-12-11-23(4)5/h6-10,15-16H,11-14H2,1-5H3.
What are the key properties of [2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 403.46 g/mol, XLogP of 3.95, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 59630158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).