[2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate

C26H36N2O3 — CID 139721076

IUPAC[2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)(c1ccccc1N(CC)CC)c1ccccc1N(CC)CC
InChIInChI=1S/C26H36N2O3/c1-7-27(8-2)23-17-13-11-15-21(23)26(30,19-31-25(29)20(5)6)22-16-12-14-18-24(22)28(9-3)10-4/h11-18,30H,5,7-10,19H2,1-4,6H3
InChIKeyUYNIIEWUZCLIMJ-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.73
Rot. Bonds11

About [2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate

[2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate (PubChem CID 139721076) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is [2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate
PubChem CID139721076
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC Name[2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)(c1ccccc1N(CC)CC)c1ccccc1N(CC)CC
InChIInChI=1S/C26H36N2O3/c1-7-27(8-2)23-17-13-11-15-21(23)26(30,19-31-25(29)20(5)6)22-16-12-14-18-24(22)28(9-3)10-4/h11-18,30H,5,7-10,19H2,1-4,6H3
InChIKeyUYNIIEWUZCLIMJ-UHFFFAOYSA-N
XLogP4.73
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate 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

(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
CID 122518351
[3-hydroxy-3-[2-[2-[2-[1-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate
CID 67111951
[3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate
CID 22918054
benzoic acid;2,2-bis(hydroxymethyl)butyl 2-methylprop-2-enoate
CID 67276535
[[2-(diethylamino)phenyl]-hydroxy-phenylmethyl] benzoate
CID 151936887
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
bis[2-methyl-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] benzene-1,2-dicarboxylate
CID 139753274
2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;prop-1-en-2-ylbenzene
CID 67914765
ethyl 2-methylprop-2-enoate;2-methyl-3-phenylhexan-2-amine
CID 142295239
2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate
CID 175503672
[2-(diethylamino)-2-phenoxyethyl] 2-methylprop-2-enoate
CID 67680774
[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate
CID 154273531

Frequently Asked Questions

What is the IUPAC name of [2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate?
The IUPAC name of [2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate (CID 139721076) is [2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)(c1ccccc1N(CC)CC)c1ccccc1N(CC)CC.
What is the InChIKey of [2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate?
The InChIKey is UYNIIEWUZCLIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-7-27(8-2)23-17-13-11-15-21(23)26(30,19-31-25(29)20(5)6)22-16-12-14-18-24(22)28(9-3)10-4/h11-18,30H,5,7-10,19H2,1-4,6H3.
What are the key properties of [2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate?
[2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate has a molecular weight of 424.59 g/mol, XLogP of 4.73, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis[2-(diethylamino)phenyl]-2-hydroxyethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 139721076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).