2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide

C142H158N6O22 — CID 161052261

IUPAC2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide
SMILESCNC(=O)C(C(=O)NC)c1ccc2cc(-c3ccc(OC)c(C(C)(C)C)c3)ccc2c1.CNC(=O)C(C(=O)NC)c1ccc2cc(-c3ccc(OC)c(C(C)C)c3)ccc2c1.CNC(=O)C(C(=O)NC)c1ccc2cc(-c3ccc(OC)c(C)c3)ccc2c1.COC(=O)C(C(=O)OC)c1ccc2cc(-c3ccc(CC(O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1.COC(=O)C(C(=O)OC)c1ccc2cc(-c3ccc(OCC(O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1
InChIInChI=1S/C34H38O7.C34H38O6.C26H30N2O3.C25H28N2O3.C23H24N2O3/c1-39-32(37)31(33(38)40-2)27-6-5-23-12-24(3-4-25(23)13-27)26-7-8-30(41-19-28(36)18-35)29(14-26)34-15-20-9-21(16-34)11-22(10-20)17-34;1-39-32(37)31(33(38)40-2)28-8-6-23-12-24(3-4-25(23)13-28)26-5-7-27(14-29(36)19-35)30(15-26)34-16-20-9-21(17-34)11-22(10-20)18-34;1-26(2,3)21-15-19(11-12-22(21)31-6)17-7-8-18-14-20(10-9-16(18)13-17)23(24(29)27-4)25(30)28-5;1-15(2)21-14-19(10-11-22(21)30-5)17-6-7-18-13-20(9-8-16(18)12-17)23(24(28)26-3)25(29)27-4;1-14-11-15(9-10-20(14)28-4)16-5-6-18-13-19(8-7-17(18)12-16)21(22(26)24-2)23(27)25-3/h3-8,12-14,20-22,28,31,35-36H,9-11,15-19H2,1-2H3;3-8,12-13,15,20-22,29,31,35-36H,9-11,14,16-19H2,1-2H3;7-15,23H,1-6H3,(H,27,29)(H,28,30);6-15,23H,1-5H3,(H,26,28)(H,27,29);5-13,21H,1-4H3,(H,24,26)(H,25,27)
InChIKeyUCHGIRUNXSFGHD-UHFFFAOYSA-N
MW2300.85 g/mol
LogP22.44
Rot. Bonds33

About 2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide

2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide (PubChem CID 161052261) has the molecular formula C142H158N6O22 and a molecular weight of 2300.85 g/mol. Its IUPAC name is 2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide.

Molecular Properties

Compound Name2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide
PubChem CID161052261
Molecular FormulaC142H158N6O22
Molecular Weight2300.85 g/mol
Exact Mass2299.14
IUPAC Name2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide
SMILESCNC(=O)C(C(=O)NC)c1ccc2cc(-c3ccc(OC)c(C(C)(C)C)c3)ccc2c1.CNC(=O)C(C(=O)NC)c1ccc2cc(-c3ccc(OC)c(C(C)C)c3)ccc2c1.CNC(=O)C(C(=O)NC)c1ccc2cc(-c3ccc(OC)c(C)c3)ccc2c1.COC(=O)C(C(=O)OC)c1ccc2cc(-c3ccc(CC(O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1.COC(=O)C(C(=O)OC)c1ccc2cc(-c3ccc(OCC(O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1
InChIInChI=1S/C34H38O7.C34H38O6.C26H30N2O3.C25H28N2O3.C23H24N2O3/c1-39-32(37)31(33(38)40-2)27-6-5-23-12-24(3-4-25(23)13-27)26-7-8-30(41-19-28(36)18-35)29(14-26)34-15-20-9-21(16-34)11-22(10-20)17-34;1-39-32(37)31(33(38)40-2)28-8-6-23-12-24(3-4-25(23)13-28)26-5-7-27(14-29(36)19-35)30(15-26)34-16-20-9-21(17-34)11-22(10-20)18-34;1-26(2,3)21-15-19(11-12-22(21)31-6)17-7-8-18-14-20(10-9-16(18)13-17)23(24(29)27-4)25(30)28-5;1-15(2)21-14-19(10-11-22(21)30-5)17-6-7-18-13-20(9-8-16(18)12-17)23(24(28)26-3)25(29)27-4;1-14-11-15(9-10-20(14)28-4)16-5-6-18-13-19(8-7-17(18)12-16)21(22(26)24-2)23(27)25-3/h3-8,12-14,20-22,28,31,35-36H,9-11,15-19H2,1-2H3;3-8,12-13,15,20-22,29,31,35-36H,9-11,14,16-19H2,1-2H3;7-15,23H,1-6H3,(H,27,29)(H,28,30);6-15,23H,1-5H3,(H,26,28)(H,27,29);5-13,21H,1-4H3,(H,24,26)(H,25,27)
InChIKeyUCHGIRUNXSFGHD-UHFFFAOYSA-N
XLogP22.44
TPSA397.64 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002300.85
LogP ≤ 522.44
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide with MolForge

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Related Compounds

2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide
CID 11545898
2-[6-[3-(1-adamantyl)-4-(1,2-dihydroxyethyl)phenyl]naphthalen-2-yl]-N,N'-dimethylpropanediamide
CID 11670939
1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane
CID 170407580
2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]cyclopentane-1,3-dione
CID 11533552
[6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalen-2-yl]-methoxymethanol
CID 167027695
CID 66755533
CID 66755533
lithium 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylate
CID 23672375
6-[3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
CID 126729098
3-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-2,4-dioxopentanedial
CID 143134506
6-[3-(1-adamantyl)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]naphthalene-2-carboxylic acid
CID 57163000
methyl 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)naphthalen-2-yl]benzoate
CID 22000353
1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol
CID 132585840

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide?
The IUPAC name of 2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide (CID 161052261) is 2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide.
What is the SMILES notation for 2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide?
The canonical SMILES for 2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide is CNC(=O)C(C(=O)NC)c1ccc2cc(-c3ccc(OC)c(C(C)(C)C)c3)ccc2c1.CNC(=O)C(C(=O)NC)c1ccc2cc(-c3ccc(OC)c(C(C)C)c3)ccc2c1.CNC(=O)C(C(=O)NC)c1ccc2cc(-c3ccc(OC)c(C)c3)ccc2c1.COC(=O)C(C(=O)OC)c1ccc2cc(-c3ccc(CC(O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1.COC(=O)C(C(=O)OC)c1ccc2cc(-c3ccc(OCC(O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1.
What is the InChIKey of 2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide?
The InChIKey is UCHGIRUNXSFGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O7.C34H38O6.C26H30N2O3.C25H28N2O3.C23H24N2O3/c1-39-32(37)31(33(38)40-2)27-6-5-23-12-24(3-4-25(23)13-27)26-7-8-30(41-19-28(36)18-35)29(14-26)34-15-20-9-21(16-34)11-22(10-20)17-34;1-39-32(37)31(33(38)40-2)28-8-6-23-12-24(3-4-25(23)13-28)26-5-7-27(14-29(36)19-35)30(15-26)34-16-20-9-21(17-34)11-22(10-20)18-34;1-26(2,3)21-15-19(11-12-22(21)31-6)17-7-8-18-14-20(10-9-16(18)13-17)23(24(29)27-4)25(30)28-5;1-15(2)21-14-19(10-11-22(21)30-5)17-6-7-18-13-20(9-8-16(18)12-17)23(24(28)26-3)25(29)27-4;1-14-11-15(9-10-20(14)28-4)16-5-6-18-13-19(8-7-17(18)12-16)21(22(26)24-2)23(27)25-3/h3-8,12-14,20-22,28,31,35-36H,9-11,15-19H2,1-2H3;3-8,12-13,15,20-22,29,31,35-36H,9-11,14,16-19H2,1-2H3;7-15,23H,1-6H3,(H,27,29)(H,28,30);6-15,23H,1-5H3,(H,26,28)(H,27,29);5-13,21H,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide?
2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide has a molecular weight of 2300.85 g/mol, XLogP of 22.44, 33 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-tert-butyl-4-methoxyphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropoxy)phenyl]naphthalen-2-yl]propanedioate;dimethyl 2-[6-[3-(1-adamantyl)-4-(2,3-dihydroxypropyl)phenyl]naphthalen-2-yl]propanedioate;2-[6-(4-methoxy-3-methylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide;2-[6-(4-methoxy-3-propan-2-ylphenyl)naphthalen-2-yl]-N,N'-dimethylpropanediamide is sourced from PubChem (CID 161052261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).