4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate

C66H94N2O26 — CID 158170554

IUPAC4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Nc1ccc(O)cc1.C=C(C)C(=O)OCC(O)COC(=O)C(=C)C.C=C(C)C(=O)OCCCCO.C=C(C)C(=O)OCCO.C=CC(=O)Nc1ccc(O)cc1.C=CC(=O)OCC(O)COC(=O)C(=C)C.C=CC(=O)OCCCCO.C=CC(=O)OCCO
InChIInChI=1S/C11H16O5.C10H11NO2.C10H14O5.C9H9NO2.C8H14O3.C7H12O3.C6H10O3.C5H8O3/c1-7(2)10(13)15-5-9(12)6-16-11(14)8(3)4;1-7(2)10(13)11-8-3-5-9(12)6-4-8;1-4-9(12)14-5-8(11)6-15-10(13)7(2)3;1-2-9(12)10-7-3-5-8(11)6-4-7;1-7(2)8(10)11-6-4-3-5-9;1-2-7(9)10-6-4-3-5-8;1-5(2)6(8)9-4-3-7;1-2-5(7)8-4-3-6/h9,12H,1,3,5-6H2,2,4H3;3-6,12H,1H2,2H3,(H,11,13);4,8,11H,1-2,5-6H2,3H3;2-6,11H,1H2,(H,10,12);9H,1,3-6H2,2H3;2,8H,1,3-6H2;7H,1,3-4H2,2H3;2,6H,1,3-4H2
InChIKeyFXJWOKMMDCFATB-UHFFFAOYSA-N
MW1331.47 g/mol
LogP5.38
Rot. Bonds32

About 4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate

4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate (PubChem CID 158170554) has the molecular formula C66H94N2O26 and a molecular weight of 1331.47 g/mol. Its IUPAC name is 4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate
PubChem CID158170554
Molecular FormulaC66H94N2O26
Molecular Weight1331.47 g/mol
Exact Mass1330.61
IUPAC Name4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Nc1ccc(O)cc1.C=C(C)C(=O)OCC(O)COC(=O)C(=C)C.C=C(C)C(=O)OCCCCO.C=C(C)C(=O)OCCO.C=CC(=O)Nc1ccc(O)cc1.C=CC(=O)OCC(O)COC(=O)C(=C)C.C=CC(=O)OCCCCO.C=CC(=O)OCCO
InChIInChI=1S/C11H16O5.C10H11NO2.C10H14O5.C9H9NO2.C8H14O3.C7H12O3.C6H10O3.C5H8O3/c1-7(2)10(13)15-5-9(12)6-16-11(14)8(3)4;1-7(2)10(13)11-8-3-5-9(12)6-4-8;1-4-9(12)14-5-8(11)6-15-10(13)7(2)3;1-2-9(12)10-7-3-5-8(11)6-4-7;1-7(2)8(10)11-6-4-3-5-9;1-2-7(9)10-6-4-3-5-8;1-5(2)6(8)9-4-3-7;1-2-5(7)8-4-3-6/h9,12H,1,3,5-6H2,2,4H3;3-6,12H,1H2,2H3,(H,11,13);4,8,11H,1-2,5-6H2,3H3;2-6,11H,1H2,(H,10,12);9H,1,3-6H2,2H3;2,8H,1,3-6H2;7H,1,3-4H2,2H3;2,6H,1,3-4H2
InChIKeyFXJWOKMMDCFATB-UHFFFAOYSA-N
XLogP5.38
TPSA430.44 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001331.47
LogP ≤ 55.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate?
The IUPAC name of 4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate (CID 158170554) is 4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate.
What is the SMILES notation for 4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate?
The canonical SMILES for 4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate is C=C(C)C(=O)Nc1ccc(O)cc1.C=C(C)C(=O)OCC(O)COC(=O)C(=C)C.C=C(C)C(=O)OCCCCO.C=C(C)C(=O)OCCO.C=CC(=O)Nc1ccc(O)cc1.C=CC(=O)OCC(O)COC(=O)C(=C)C.C=CC(=O)OCCCCO.C=CC(=O)OCCO.
What is the InChIKey of 4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate?
The InChIKey is FXJWOKMMDCFATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5.C10H11NO2.C10H14O5.C9H9NO2.C8H14O3.C7H12O3.C6H10O3.C5H8O3/c1-7(2)10(13)15-5-9(12)6-16-11(14)8(3)4;1-7(2)10(13)11-8-3-5-9(12)6-4-8;1-4-9(12)14-5-8(11)6-15-10(13)7(2)3;1-2-9(12)10-7-3-5-8(11)6-4-7;1-7(2)8(10)11-6-4-3-5-9;1-2-7(9)10-6-4-3-5-8;1-5(2)6(8)9-4-3-7;1-2-5(7)8-4-3-6/h9,12H,1,3,5-6H2,2,4H3;3-6,12H,1H2,2H3,(H,11,13);4,8,11H,1-2,5-6H2,3H3;2-6,11H,1H2,(H,10,12);9H,1,3-6H2,2H3;2,8H,1,3-6H2;7H,1,3-4H2,2H3;2,6H,1,3-4H2.
What are the key properties of 4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate?
4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate has a molecular weight of 1331.47 g/mol, XLogP of 5.38, 32 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;N-(4-hydroxyphenyl)-2-methylprop-2-enamide;N-(4-hydroxyphenyl)prop-2-enamide;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 158170554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).