[2-acetyloxy-4-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl] acetate;[2-acetyloxy-4-[(3,4-dimethylbenzoyl)amino]phenyl] acetate;[2-acetyloxy-4-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]phenyl] acetate;[2-acetyloxy-4-[3-(3,4-dimethylphenoxy)phenoxy]phenyl] acetate;[2-acetyloxy-4-[2-[4-(3,4-dimethylphenoxy)phenyl]acetyl]phenyl] acetate;[2-acetyloxy-4-[[2-(3,4-dimethylphenoxy)phenyl]carbamoyl]phenyl] acetate

C136H134N4O34 — CID 159314257

About [2-acetyloxy-4-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl] acetate;[2-acetyloxy-4-[(3,4-dimethylbenzoyl)amino]phenyl] acetate;[2-acetyloxy-4-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]phenyl] acetate;[2-acetyloxy-4-[3-(3,4-dimethylphenoxy)phenoxy]phenyl] acetate;[2-acetyloxy-4-[2-[4-(3,4-dimethylphenoxy)phenyl]acetyl]phenyl] acetate;[2-acetyloxy-4-[[2-(3,4-dimethylphenoxy)phenyl]carbamoyl]phenyl] acetate

[2-acetyloxy-4-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl] acetate;[2-acetyloxy-4-[(3,4-dimethylbenzoyl)amino]phenyl] acetate;[2-acetyloxy-4-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]phenyl] acetate;[2-acetyloxy-4-[3-(3,4-dimethylphenoxy)phenoxy]phenyl] acetate;[2-acetyloxy-4-[2-[4-(3,4-dimethylphenoxy)phenyl]acetyl]phenyl] acetate;[2-acetyloxy-4-[[2-(3,4-dimethylphenoxy)phenyl]carbamoyl]phenyl] acetate (PubChem CID 159314257) has the molecular formula C136H134N4O34 and a molecular weight of 2368.56 g/mol. Its IUPAC name is [2-acetyloxy-4-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl] acetate;[2-acetyloxy-4-[(3,4-dimethylbenzoyl)amino]phenyl] acetate;[2-acetyloxy-4-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]phenyl] acetate;[2-acetyloxy-4-[3-(3,4-dimethylphenoxy)phenoxy]phenyl] acetate;[2-acetyloxy-4-[2-[4-(3,4-dimethylphenoxy)phenyl]acetyl]phenyl] acetate;[2-acetyloxy-4-[[2-(3,4-dimethylphenoxy)phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

• Compound Name: [2-acetyloxy-4-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl] acetate;[2-acetyloxy-4-[(3,4-dimethylbenzoyl)amino]phenyl] acetate;[2-acetyloxy-4-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]phenyl] acetate;[2-acetyloxy-4-[3-(3,4-dimethylphenoxy)phenoxy]phenyl] acetate;[2-acetyloxy-4-[2-[4-(3,4-dimethylphenoxy)phenyl]acetyl]phenyl] acetate;[2-acetyloxy-4-[[2-(3,4-dimethylphenoxy)phenyl]carbamoyl]phenyl] acetate
• PubChem CID: 159314257
• Molecular Formula: C136H134N4O34
• Molecular Weight: 2368.56 g/mol
• Exact Mass: 2366.89
• IUPAC Name: [2-acetyloxy-4-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl] acetate;[2-acetyloxy-4-[(3,4-dimethylbenzoyl)amino]phenyl] acetate;[2-acetyloxy-4-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]phenyl] acetate;[2-acetyloxy-4-[3-(3,4-dimethylphenoxy)phenoxy]phenyl] acetate;[2-acetyloxy-4-[2-[4-(3,4-dimethylphenoxy)phenyl]acetyl]phenyl] acetate;[2-acetyloxy-4-[[2-(3,4-dimethylphenoxy)phenyl]carbamoyl]phenyl] acetate
• SMILES: CC(=O)Oc1ccc(C(=O)Cc2ccc(Oc3ccc(C)c(C)c3)cc2)cc1OC(C)=O.CC(=O)Oc1ccc(C(=O)Nc2ccccc2Oc2ccc(C)c(C)c2)cc1OC(C)=O.CC(=O)Oc1ccc(CCNC(=O)COc2ccc(C)c(C)c2)cc1OC(C)=O.CC(=O)Oc1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1OC(C)=O.CC(=O)Oc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1OC(C)=O.CC(=O)Oc1ccc(Oc2cccc(Oc3ccc(C)c(C)c3)c2)cc1OC(C)=O
• InChI: InChI=1S/C26H24O6.C25H23NO6.C24H22O6.C22H25NO6.C20H21NO5.C19H19NO5/c1-16-5-9-23(13-17(16)2)32-22-10-6-20(7-11-22)14-24(29)21-8-12-25(30-18(3)27)26(15-21)31-19(4)28;1-15-9-11-20(13-16(15)2)32-22-8-6-5-7-21(22)26-25(29)19-10-12-23(30-17(3)27)24(14-19)31-18(4)28;1-15-8-9-21(12-16(15)2)29-19-6-5-7-20(13-19)30-22-10-11-23(27-17(3)25)24(14-22)28-18(4)26;1-14-5-7-19(11-15(14)2)27-13-22(26)23-10-9-18-6-8-20(28-16(3)24)21(12-18)29-17(4)25;1-12-5-7-17(9-13(12)2)20(24)21-11-16-6-8-18(25-14(3)22)19(10-16)26-15(4)23;1-11-5-6-15(9-12(11)2)19(23)20-16-7-8-17(24-13(3)21)18(10-16)25-14(4)22/h5-13,15H,14H2,1-4H3;5-14H,1-4H3,(H,26,29);5-14H,1-4H3;5-8,11-12H,9-10,13H2,1-4H3,(H,23,26);5-10H,11H2,1-4H3,(H,21,24);5-10H,1-4H3,(H,20,23)
• InChIKey: LCXZWRKOLJAGNP-UHFFFAOYSA-N
• XLogP: 25.69
• TPSA: 495.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 36
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2368.56
LogP ≤ 5	25.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-4-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl] acetate;[2-acetyloxy-4-[(3,4-dimethylbenzoyl)amino]phenyl] acetate;[2-acetyloxy-4-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]phenyl] acetate;[2-acetyloxy-4-[3-(3,4-dimethylphenoxy)phenoxy]phenyl] acetate;[2-acetyloxy-4-[2-[4-(3,4-dimethylphenoxy)phenyl]acetyl]phenyl] acetate;[2-acetyloxy-4-[[2-(3,4-dimethylphenoxy)phenyl]carbamoyl]phenyl] acetate?

The IUPAC name of [2-acetyloxy-4-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl] acetate;[2-acetyloxy-4-[(3,4-dimethylbenzoyl)amino]phenyl] acetate;[2-acetyloxy-4-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]phenyl] acetate;[2-acetyloxy-4-[3-(3,4-dimethylphenoxy)phenoxy]phenyl] acetate;[2-acetyloxy-4-[2-[4-(3,4-dimethylphenoxy)phenyl]acetyl]phenyl] acetate;[2-acetyloxy-4-[[2-(3,4-dimethylphenoxy)phenyl]carbamoyl]phenyl] acetate (CID 159314257) is [2-acetyloxy-4-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl] acetate;[2-acetyloxy-4-[(3,4-dimethylbenzoyl)amino]phenyl] acetate;[2-acetyloxy-4-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]phenyl] acetate;[2-acetyloxy-4-[3-(3,4-dimethylphenoxy)phenoxy]phenyl] acetate;[2-acetyloxy-4-[2-[4-(3,4-dimethylphenoxy)phenyl]acetyl]phenyl] acetate;[2-acetyloxy-4-[[2-(3,4-dimethylphenoxy)phenyl]carbamoyl]phenyl] acetate.

What is the SMILES notation for [2-acetyloxy-4-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl] acetate;[2-acetyloxy-4-[(3,4-dimethylbenzoyl)amino]phenyl] acetate;[2-acetyloxy-4-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]phenyl] acetate;[2-acetyloxy-4-[3-(3,4-dimethylphenoxy)phenoxy]phenyl] acetate;[2-acetyloxy-4-[2-[4-(3,4-dimethylphenoxy)phenyl]acetyl]phenyl] acetate;[2-acetyloxy-4-[[2-(3,4-dimethylphenoxy)phenyl]carbamoyl]phenyl] acetate?

The canonical SMILES for [2-acetyloxy-4-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl] acetate;[2-acetyloxy-4-[(3,4-dimethylbenzoyl)amino]phenyl] acetate;[2-acetyloxy-4-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]phenyl] acetate;[2-acetyloxy-4-[3-(3,4-dimethylphenoxy)phenoxy]phenyl] acetate;[2-acetyloxy-4-[2-[4-(3,4-dimethylphenoxy)phenyl]acetyl]phenyl] acetate;[2-acetyloxy-4-[[2-(3,4-dimethylphenoxy)phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)Cc2ccc(Oc3ccc(C)c(C)c3)cc2)cc1OC(C)=O.CC(=O)Oc1ccc(C(=O)Nc2ccccc2Oc2ccc(C)c(C)c2)cc1OC(C)=O.CC(=O)Oc1ccc(CCNC(=O)COc2ccc(C)c(C)c2)cc1OC(C)=O.CC(=O)Oc1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1OC(C)=O.CC(=O)Oc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1OC(C)=O.CC(=O)Oc1ccc(Oc2cccc(Oc3ccc(C)c(C)c3)c2)cc1OC(C)=O.

What is the InChIKey of [2-acetyloxy-4-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl] acetate;[2-acetyloxy-4-[(3,4-dimethylbenzoyl)amino]phenyl] acetate;[2-acetyloxy-4-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]phenyl] acetate;[2-acetyloxy-4-[3-(3,4-dimethylphenoxy)phenoxy]phenyl] acetate;[2-acetyloxy-4-[2-[4-(3,4-dimethylphenoxy)phenyl]acetyl]phenyl] acetate;[2-acetyloxy-4-[[2-(3,4-dimethylphenoxy)phenyl]carbamoyl]phenyl] acetate?

The InChIKey is LCXZWRKOLJAGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O6.C25H23NO6.C24H22O6.C22H25NO6.C20H21NO5.C19H19NO5/c1-16-5-9-23(13-17(16)2)32-22-10-6-20(7-11-22)14-24(29)21-8-12-25(30-18(3)27)26(15-21)31-19(4)28;1-15-9-11-20(13-16(15)2)32-22-8-6-5-7-21(22)26-25(29)19-10-12-23(30-17(3)27)24(14-19)31-18(4)28;1-15-8-9-21(12-16(15)2)29-19-6-5-7-20(13-19)30-22-10-11-23(27-17(3)25)24(14-22)28-18(4)26;1-14-5-7-19(11-15(14)2)27-13-22(26)23-10-9-18-6-8-20(28-16(3)24)21(12-18)29-17(4)25;1-12-5-7-17(9-13(12)2)20(24)21-11-16-6-8-18(25-14(3)22)19(10-16)26-15(4)23;1-11-5-6-15(9-12(11)2)19(23)20-16-7-8-17(24-13(3)21)18(10-16)25-14(4)22/h5-13,15H,14H2,1-4H3;5-14H,1-4H3,(H,26,29);5-14H,1-4H3;5-8,11-12H,9-10,13H2,1-4H3,(H,23,26);5-10H,11H2,1-4H3,(H,21,24);5-10H,1-4H3,(H,20,23).

What are the key properties of [2-acetyloxy-4-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl] acetate;[2-acetyloxy-4-[(3,4-dimethylbenzoyl)amino]phenyl] acetate;[2-acetyloxy-4-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]phenyl] acetate;[2-acetyloxy-4-[3-(3,4-dimethylphenoxy)phenoxy]phenyl] acetate;[2-acetyloxy-4-[2-[4-(3,4-dimethylphenoxy)phenyl]acetyl]phenyl] acetate;[2-acetyloxy-4-[[2-(3,4-dimethylphenoxy)phenyl]carbamoyl]phenyl] acetate?

[2-acetyloxy-4-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl] acetate;[2-acetyloxy-4-[(3,4-dimethylbenzoyl)amino]phenyl] acetate;[2-acetyloxy-4-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]phenyl] acetate;[2-acetyloxy-4-[3-(3,4-dimethylphenoxy)phenoxy]phenyl] acetate;[2-acetyloxy-4-[2-[4-(3,4-dimethylphenoxy)phenyl]acetyl]phenyl] acetate;[2-acetyloxy-4-[[2-(3,4-dimethylphenoxy)phenyl]carbamoyl]phenyl] acetate has a molecular weight of 2368.56 g/mol, XLogP of 25.69, 36 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [2-acetyloxy-4-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl] acetate;[2-acetyloxy-4-[(3,4-dimethylbenzoyl)amino]phenyl] acetate;[2-acetyloxy-4-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]phenyl] acetate;[2-acetyloxy-4-[3-(3,4-dimethylphenoxy)phenoxy]phenyl] acetate;[2-acetyloxy-4-[2-[4-(3,4-dimethylphenoxy)phenyl]acetyl]phenyl] acetate;[2-acetyloxy-4-[[2-(3,4-dimethylphenoxy)phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 159314257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).