[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate;methane;2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide;[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate

C61H68N2O14 — CID 159874804

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate;methane;2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide;[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate;methane;2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide;[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate (PubChem CID 159874804) has the molecular formula C61H68N2O14 and a molecular weight of 1053.21 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate;methane;2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide;[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

• Compound Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate;methane;2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide;[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
• PubChem CID: 159874804
• Molecular Formula: C61H68N2O14
• Molecular Weight: 1053.21 g/mol
• Exact Mass: 1052.47
• IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate;methane;2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide;[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
• SMILES: C.COc1cc(C)ccc1OCC(=O)NCc1ccc(C)cc1.COc1ccc(OC)c(C(=O)COC(=O)COc2ccc(C)c(C)c2)c1.COc1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1
• InChI: InChI=1S/C22H21NO5.C20H22O6.C18H21NO3.CH4/c1-15(28-21(24)14-27-18-12-10-17(26-2)11-13-18)22(25)23-20-9-5-7-16-6-3-4-8-19(16)20;1-13-5-6-16(9-14(13)2)25-12-20(22)26-11-18(21)17-10-15(23-3)7-8-19(17)24-4;1-13-4-7-15(8-5-13)11-19-18(20)12-22-16-9-6-14(2)10-17(16)21-3;/h3-13,15H,14H2,1-2H3,(H,23,25);5-10H,11-12H2,1-4H3;4-10H,11-12H2,1-3H3,(H,19,20);1H4/t15-;;;/m0.../s1
• InChIKey: NSTNSBYBUJUGAQ-CFZZCFLMSA-N
• XLogP: 10.57
• TPSA: 192.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1053.21
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate;methane;2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide;[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate?

The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate;methane;2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide;[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate (CID 159874804) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate;methane;2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide;[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate.

What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate;methane;2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide;[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate?

The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate;methane;2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide;[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate is C.COc1cc(C)ccc1OCC(=O)NCc1ccc(C)cc1.COc1ccc(OC)c(C(=O)COC(=O)COc2ccc(C)c(C)c2)c1.COc1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1.

What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate;methane;2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide;[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate?

The InChIKey is NSTNSBYBUJUGAQ-CFZZCFLMSA-N. The full InChI is InChI=1S/C22H21NO5.C20H22O6.C18H21NO3.CH4/c1-15(28-21(24)14-27-18-12-10-17(26-2)11-13-18)22(25)23-20-9-5-7-16-6-3-4-8-19(16)20;1-13-5-6-16(9-14(13)2)25-12-20(22)26-11-18(21)17-10-15(23-3)7-8-19(17)24-4;1-13-4-7-15(8-5-13)11-19-18(20)12-22-16-9-6-14(2)10-17(16)21-3;/h3-13,15H,14H2,1-2H3,(H,23,25);5-10H,11-12H2,1-4H3;4-10H,11-12H2,1-3H3,(H,19,20);1H4/t15-;;;/m0.../s1.

What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate;methane;2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide;[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate?

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate;methane;2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide;[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 1053.21 g/mol, XLogP of 10.57, 21 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate;methane;2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide;[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 159874804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).