N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide

C123H154N10O24 — CID 158750078

IUPACN-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide
SMILESC.CC(C)NC(=O)COc1ccc(/C=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1.CC/C=C\CNC(=O)COc1ccc(/C=C/c2ccc(OCC(=O)NC/C=C/CCCCCCCC)cc2)cc1.CCNC(=O)COc1ccc(/C=C/c2ccc(OCC(=O)NCC)cc2)cc1.O=C(COc1ccc(/C=C/c2ccc(OCC(=O)NCCO)cc2)cc1)NCCO.O=C(COc1ccc(/C=C/c2ccc(OCC(=O)NCO)cc2)cc1)NCO
InChIInChI=1S/C34H46N2O4.C24H30N2O4.C22H26N2O6.C22H26N2O4.C20H22N2O6.CH4/c1-3-5-7-8-9-10-11-12-14-26-36-34(38)28-40-32-23-19-30(20-24-32)16-15-29-17-21-31(22-18-29)39-27-33(37)35-25-13-6-4-2;1-17(2)25-23(27)15-29-21-11-7-19(8-12-21)5-6-20-9-13-22(14-10-20)30-16-24(28)26-18(3)4;25-13-11-23-21(27)15-29-19-7-3-17(4-8-19)1-2-18-5-9-20(10-6-18)30-16-22(28)24-12-14-26;1-3-23-21(25)15-27-19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)28-16-22(26)24-4-2;23-13-21-19(25)11-27-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)28-12-20(26)22-14-24;/h6,12-24H,3-5,7-11,25-28H2,1-2H3,(H,35,37)(H,36,38);5-14,17-18H,15-16H2,1-4H3,(H,25,27)(H,26,28);1-10,25-26H,11-16H2,(H,23,27)(H,24,28);5-14H,3-4,15-16H2,1-2H3,(H,23,25)(H,24,26);1-10,23-24H,11-14H2,(H,21,25)(H,22,26);1H4/b13-6-,14-12+,16-15+;6-5+;2-1+;6-5+;2-1+;
InChIKeyINJDBPQOMJPKEQ-ZHRBMGDQSA-N
MW2156.63 g/mol
LogP15.88
Rot. Bonds62

About N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide

N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide (PubChem CID 158750078) has the molecular formula C123H154N10O24 and a molecular weight of 2156.63 g/mol. Its IUPAC name is N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide
PubChem CID158750078
Molecular FormulaC123H154N10O24
Molecular Weight2156.63 g/mol
Exact Mass2155.11
IUPAC NameN-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide
SMILESC.CC(C)NC(=O)COc1ccc(/C=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1.CC/C=C\CNC(=O)COc1ccc(/C=C/c2ccc(OCC(=O)NC/C=C/CCCCCCCC)cc2)cc1.CCNC(=O)COc1ccc(/C=C/c2ccc(OCC(=O)NCC)cc2)cc1.O=C(COc1ccc(/C=C/c2ccc(OCC(=O)NCCO)cc2)cc1)NCCO.O=C(COc1ccc(/C=C/c2ccc(OCC(=O)NCO)cc2)cc1)NCO
InChIInChI=1S/C34H46N2O4.C24H30N2O4.C22H26N2O6.C22H26N2O4.C20H22N2O6.CH4/c1-3-5-7-8-9-10-11-12-14-26-36-34(38)28-40-32-23-19-30(20-24-32)16-15-29-17-21-31(22-18-29)39-27-33(37)35-25-13-6-4-2;1-17(2)25-23(27)15-29-21-11-7-19(8-12-21)5-6-20-9-13-22(14-10-20)30-16-24(28)26-18(3)4;25-13-11-23-21(27)15-29-19-7-3-17(4-8-19)1-2-18-5-9-20(10-6-18)30-16-22(28)24-12-14-26;1-3-23-21(25)15-27-19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)28-16-22(26)24-4-2;23-13-21-19(25)11-27-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)28-12-20(26)22-14-24;/h6,12-24H,3-5,7-11,25-28H2,1-2H3,(H,35,37)(H,36,38);5-14,17-18H,15-16H2,1-4H3,(H,25,27)(H,26,28);1-10,25-26H,11-16H2,(H,23,27)(H,24,28);5-14H,3-4,15-16H2,1-2H3,(H,23,25)(H,24,26);1-10,23-24H,11-14H2,(H,21,25)(H,22,26);1H4/b13-6-,14-12+,16-15+;6-5+;2-1+;6-5+;2-1+;
InChIKeyINJDBPQOMJPKEQ-ZHRBMGDQSA-N
XLogP15.88
TPSA464.22 Ų
H-Bond Donors14
H-Bond Acceptors24
Rotatable Bonds62
Heavy Atoms157
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002156.63
LogP ≤ 515.88
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide?
The IUPAC name of N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide (CID 158750078) is N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide is C.CC(C)NC(=O)COc1ccc(/C=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1.CC/C=C\CNC(=O)COc1ccc(/C=C/c2ccc(OCC(=O)NC/C=C/CCCCCCCC)cc2)cc1.CCNC(=O)COc1ccc(/C=C/c2ccc(OCC(=O)NCC)cc2)cc1.O=C(COc1ccc(/C=C/c2ccc(OCC(=O)NCCO)cc2)cc1)NCCO.O=C(COc1ccc(/C=C/c2ccc(OCC(=O)NCO)cc2)cc1)NCO.
What is the InChIKey of N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide?
The InChIKey is INJDBPQOMJPKEQ-ZHRBMGDQSA-N. The full InChI is InChI=1S/C34H46N2O4.C24H30N2O4.C22H26N2O6.C22H26N2O4.C20H22N2O6.CH4/c1-3-5-7-8-9-10-11-12-14-26-36-34(38)28-40-32-23-19-30(20-24-32)16-15-29-17-21-31(22-18-29)39-27-33(37)35-25-13-6-4-2;1-17(2)25-23(27)15-29-21-11-7-19(8-12-21)5-6-20-9-13-22(14-10-20)30-16-24(28)26-18(3)4;25-13-11-23-21(27)15-29-19-7-3-17(4-8-19)1-2-18-5-9-20(10-6-18)30-16-22(28)24-12-14-26;1-3-23-21(25)15-27-19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)28-16-22(26)24-4-2;23-13-21-19(25)11-27-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)28-12-20(26)22-14-24;/h6,12-24H,3-5,7-11,25-28H2,1-2H3,(H,35,37)(H,36,38);5-14,17-18H,15-16H2,1-4H3,(H,25,27)(H,26,28);1-10,25-26H,11-16H2,(H,23,27)(H,24,28);5-14H,3-4,15-16H2,1-2H3,(H,23,25)(H,24,26);1-10,23-24H,11-14H2,(H,21,25)(H,22,26);1H4/b13-6-,14-12+,16-15+;6-5+;2-1+;6-5+;2-1+;.
What are the key properties of N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide?
N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide has a molecular weight of 2156.63 g/mol, XLogP of 15.88, 62 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide is sourced from PubChem (CID 158750078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).