3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one

C111H131N5O15 — CID 173348380

IUPAC3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one
SMILESC=CC(C)(C)c1cc(C=CC(=O)c2ccc(NC)cc2)c(OCC)cc1O.C=CCc1cc(C=CC(=O)c2ccc(NC)cc2)c(OCC)cc1O.CC=CCc1cc(C=CC(=O)c2ccc(NC)cc2)c(OCC)cc1O.CCCOc1cc(O)c(CCC)cc1C=CC(=O)c1ccc(NC)cc1.CCOc1cc(O)c(C(C)(C)CC)cc1C=CC(=O)c1ccc(NC)cc1
InChIInChI=1S/C23H29NO3.C23H27NO3.C22H27NO3.C22H25NO3.C21H23NO3/c2*1-6-23(3,4)19-14-17(22(27-7-2)15-21(19)26)10-13-20(25)16-8-11-18(24-5)12-9-16;1-4-6-17-14-18(22(15-21(17)25)26-13-5-2)9-12-20(24)16-7-10-19(23-3)11-8-16;1-4-6-7-17-14-18(22(26-5-2)15-21(17)25)10-13-20(24)16-8-11-19(23-3)12-9-16;1-4-6-16-13-17(21(25-5-2)14-20(16)24)9-12-19(23)15-7-10-18(22-3)11-8-15/h8-15,24,26H,6-7H2,1-5H3;6,8-15,24,26H,1,7H2,2-5H3;7-12,14-15,23,25H,4-6,13H2,1-3H3;4,6,8-15,23,25H,5,7H2,1-3H3;4,7-14,22,24H,1,5-6H2,2-3H3
InChIKeyNHPBXAYDANLTGW-UHFFFAOYSA-N
MW1775.29 g/mol
LogP24.98
Rot. Bonds41

About 3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one

3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one (PubChem CID 173348380) has the molecular formula C111H131N5O15 and a molecular weight of 1775.29 g/mol. Its IUPAC name is 3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one
PubChem CID173348380
Molecular FormulaC111H131N5O15
Molecular Weight1775.29 g/mol
Exact Mass1773.96
IUPAC Name3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one
SMILESC=CC(C)(C)c1cc(C=CC(=O)c2ccc(NC)cc2)c(OCC)cc1O.C=CCc1cc(C=CC(=O)c2ccc(NC)cc2)c(OCC)cc1O.CC=CCc1cc(C=CC(=O)c2ccc(NC)cc2)c(OCC)cc1O.CCCOc1cc(O)c(CCC)cc1C=CC(=O)c1ccc(NC)cc1.CCOc1cc(O)c(C(C)(C)CC)cc1C=CC(=O)c1ccc(NC)cc1
InChIInChI=1S/C23H29NO3.C23H27NO3.C22H27NO3.C22H25NO3.C21H23NO3/c2*1-6-23(3,4)19-14-17(22(27-7-2)15-21(19)26)10-13-20(25)16-8-11-18(24-5)12-9-16;1-4-6-17-14-18(22(15-21(17)25)26-13-5-2)9-12-20(24)16-7-10-19(23-3)11-8-16;1-4-6-7-17-14-18(22(26-5-2)15-21(17)25)10-13-20(24)16-8-11-19(23-3)12-9-16;1-4-6-16-13-17(21(25-5-2)14-20(16)24)9-12-19(23)15-7-10-18(22-3)11-8-15/h8-15,24,26H,6-7H2,1-5H3;6,8-15,24,26H,1,7H2,2-5H3;7-12,14-15,23,25H,4-6,13H2,1-3H3;4,6,8-15,23,25H,5,7H2,1-3H3;4,7-14,22,24H,1,5-6H2,2-3H3
InChIKeyNHPBXAYDANLTGW-UHFFFAOYSA-N
XLogP24.98
TPSA292.80 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds41
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001775.29
LogP ≤ 524.98
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one 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 3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one?
The IUPAC name of 3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one (CID 173348380) is 3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one.
What is the SMILES notation for 3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one?
The canonical SMILES for 3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one is C=CC(C)(C)c1cc(C=CC(=O)c2ccc(NC)cc2)c(OCC)cc1O.C=CCc1cc(C=CC(=O)c2ccc(NC)cc2)c(OCC)cc1O.CC=CCc1cc(C=CC(=O)c2ccc(NC)cc2)c(OCC)cc1O.CCCOc1cc(O)c(CCC)cc1C=CC(=O)c1ccc(NC)cc1.CCOc1cc(O)c(C(C)(C)CC)cc1C=CC(=O)c1ccc(NC)cc1.
What is the InChIKey of 3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one?
The InChIKey is NHPBXAYDANLTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3.C23H27NO3.C22H27NO3.C22H25NO3.C21H23NO3/c2*1-6-23(3,4)19-14-17(22(27-7-2)15-21(19)26)10-13-20(25)16-8-11-18(24-5)12-9-16;1-4-6-17-14-18(22(15-21(17)25)26-13-5-2)9-12-20(24)16-7-10-19(23-3)11-8-16;1-4-6-7-17-14-18(22(26-5-2)15-21(17)25)10-13-20(24)16-8-11-19(23-3)12-9-16;1-4-6-16-13-17(21(25-5-2)14-20(16)24)9-12-19(23)15-7-10-18(22-3)11-8-15/h8-15,24,26H,6-7H2,1-5H3;6,8-15,24,26H,1,7H2,2-5H3;7-12,14-15,23,25H,4-6,13H2,1-3H3;4,6,8-15,23,25H,5,7H2,1-3H3;4,7-14,22,24H,1,5-6H2,2-3H3.
What are the key properties of 3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one?
3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one has a molecular weight of 1775.29 g/mol, XLogP of 24.98, 41 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-but-2-enyl-2-ethoxy-4-hydroxyphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-[2-ethoxy-4-hydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(2-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one;3-(4-hydroxy-2-propoxy-5-propylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one is sourced from PubChem (CID 173348380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).