3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-2-enoate

C54H61N7O19 — CID 172966351

IUPAC3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-2-enoate
SMILESC=CC(=O)O.C=CC(=O)OC(=O)C=C.C=CC(=O)OCCOc1ccccc1N/N=C(/C(=O)Nc1ccccc1OC)C(C)O.COc1ccccc1NC(=O)C(/N=N/c1ccccc1OCCO)=C(C)O.O=C1CCC(=O)N1O
InChIInChI=1S/C22H25N3O6.C19H21N3O5.C6H6O3.C4H5NO3.C3H4O2/c1-4-20(27)31-14-13-30-19-12-8-6-10-17(19)24-25-21(15(2)26)22(28)23-16-9-5-7-11-18(16)29-3;1-13(24)18(19(25)20-14-7-3-5-9-16(14)26-2)22-21-15-8-4-6-10-17(15)27-12-11-23;1-3-5(7)9-6(8)4-2;6-3-1-2-4(7)5(3)8;1-2-3(4)5/h4-12,15,24,26H,1,13-14H2,2-3H3,(H,23,28);3-10,23-24H,11-12H2,1-2H3,(H,20,25);3-4H,1-2H2;8H,1-2H2;2H,1H2,(H,4,5)/b25-21+;18-13?,22-21+;;;
InChIKeyGPCCXSBYDYFFLB-KICSUMNZSA-N
MW1112.11 g/mol
LogP6.38
Rot. Bonds22

About 3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-2-enoate

3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-2-enoate (PubChem CID 172966351) has the molecular formula C54H61N7O19 and a molecular weight of 1112.11 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-2-enoate.

Molecular Properties

Compound Name3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-2-enoate
PubChem CID172966351
Molecular FormulaC54H61N7O19
Molecular Weight1112.11 g/mol
Exact Mass1111.40
IUPAC Name3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-2-enoate
SMILESC=CC(=O)O.C=CC(=O)OC(=O)C=C.C=CC(=O)OCCOc1ccccc1N/N=C(/C(=O)Nc1ccccc1OC)C(C)O.COc1ccccc1NC(=O)C(/N=N/c1ccccc1OCCO)=C(C)O.O=C1CCC(=O)N1O
InChIInChI=1S/C22H25N3O6.C19H21N3O5.C6H6O3.C4H5NO3.C3H4O2/c1-4-20(27)31-14-13-30-19-12-8-6-10-17(19)24-25-21(15(2)26)22(28)23-16-9-5-7-11-18(16)29-3;1-13(24)18(19(25)20-14-7-3-5-9-16(14)26-2)22-21-15-8-4-6-10-17(15)27-12-11-23;1-3-5(7)9-6(8)4-2;6-3-1-2-4(7)5(3)8;1-2-3(4)5/h4-12,15,24,26H,1,13-14H2,2-3H3,(H,23,28);3-10,23-24H,11-12H2,1-2H3,(H,20,25);3-4H,1-2H2;8H,1-2H2;2H,1H2,(H,4,5)/b25-21+;18-13?,22-21+;;;
InChIKeyGPCCXSBYDYFFLB-KICSUMNZSA-N
XLogP6.38
TPSA369.50 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001112.11
LogP ≤ 56.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-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

dimethyl 2-[[3-hydroxy-1-[2-(2-hydroxyethoxy)anilino]-1-oxobut-2-en-2-yl]diazenyl]benzene-1,4-dicarboxylate
CID 152774541
2-[[5-(2-aminoethyl)-2-methoxyphenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide
CID 152776775
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
(E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide
CID 178130112
3-[[3-hydroxy-1-(2-methoxyanilino)-1-oxobut-2-en-2-yl]diazenyl]benzoic acid
CID 147181871
ethyl (Z)-2-[[2-[2-[2-[2-[[(E)-1-ethoxy-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]phenoxy]ethoxy]ethoxy]phenyl]diazenyl]-3-hydroxybut-2-enoate
CID 135480246
12-(2-phenyldiazenylphenoxy)dodecyl prop-2-enoate
CID 141194405
N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide
CID 86096394
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
2-[2-(2-phenylphenoxy)ethoxy]ethyl prop-2-enoate
CID 23290048
(E)-2-(ethanethioyliminomethyl)-3-hydroxy-N-(2-methoxyphenyl)but-2-enamide
CID 137265814
N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide
CID 61076230

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-2-enoate?
The IUPAC name of 3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-2-enoate (CID 172966351) is 3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-2-enoate.
What is the SMILES notation for 3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-2-enoate?
The canonical SMILES for 3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-2-enoate is C=CC(=O)O.C=CC(=O)OC(=O)C=C.C=CC(=O)OCCOc1ccccc1N/N=C(/C(=O)Nc1ccccc1OC)C(C)O.COc1ccccc1NC(=O)C(/N=N/c1ccccc1OCCO)=C(C)O.O=C1CCC(=O)N1O.
What is the InChIKey of 3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-2-enoate?
The InChIKey is GPCCXSBYDYFFLB-KICSUMNZSA-N. The full InChI is InChI=1S/C22H25N3O6.C19H21N3O5.C6H6O3.C4H5NO3.C3H4O2/c1-4-20(27)31-14-13-30-19-12-8-6-10-17(19)24-25-21(15(2)26)22(28)23-16-9-5-7-11-18(16)29-3;1-13(24)18(19(25)20-14-7-3-5-9-16(14)26-2)22-21-15-8-4-6-10-17(15)27-12-11-23;1-3-5(7)9-6(8)4-2;6-3-1-2-4(7)5(3)8;1-2-3(4)5/h4-12,15,24,26H,1,13-14H2,2-3H3,(H,23,28);3-10,23-24H,11-12H2,1-2H3,(H,20,25);3-4H,1-2H2;8H,1-2H2;2H,1H2,(H,4,5)/b25-21+;18-13?,22-21+;;;.
What are the key properties of 3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-2-enoate?
3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-2-enoate has a molecular weight of 1112.11 g/mol, XLogP of 6.38, 22 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-(2-hydroxyethoxy)phenyl]diazenyl]-N-(2-methoxyphenyl)but-2-enamide;2-[2-[(2E)-2-[3-hydroxy-1-(2-methoxyanilino)-1-oxobutan-2-ylidene]hydrazinyl]phenoxy]ethyl prop-2-enoate;1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid;prop-2-enoyl prop-2-enoate is sourced from PubChem (CID 172966351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).