[4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate;(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate;(3-methylphenyl) N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-butanoyl-N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate;(2-propan-2-yloxyphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate

C82H114N8O16S — CID 173035705

About [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate;(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate;(3-methylphenyl) N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-butanoyl-N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate;(2-propan-2-yloxyphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate

[4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate;(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate;(3-methylphenyl) N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-butanoyl-N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate;(2-propan-2-yloxyphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate (PubChem CID 173035705) has the molecular formula C82H114N8O16S and a molecular weight of 1499.92 g/mol. Its IUPAC name is [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate;(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate;(3-methylphenyl) N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-butanoyl-N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate;(2-propan-2-yloxyphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate.

Molecular Properties

• Compound Name: [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate;(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate;(3-methylphenyl) N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-butanoyl-N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate;(2-propan-2-yloxyphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate
• PubChem CID: 173035705
• Molecular Formula: C82H114N8O16S
• Molecular Weight: 1499.92 g/mol
• Exact Mass: 1498.81
• IUPAC Name: [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate;(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate;(3-methylphenyl) N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-butanoyl-N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate;(2-propan-2-yloxyphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate
• SMILES: CCCC(=O)N(C)C(=O)Oc1cc(C)cc(C(C)C)c1.CNC(=O)Oc1cc(C)c(C)c(C)c1.CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1.CNC(=O)Oc1cc(C)c(SC)c(C)c1.CNC(=O)Oc1cc(C)cc(C(C)C)c1.CNC(=O)Oc1cccc(C)c1.CNC(=O)Oc1ccccc1OC(C)C
• InChI: InChI=1S/C16H23NO3.C12H18N2O2.C12H17NO2.C11H15NO3.C11H15NO2S.C11H15NO2.C9H11NO2/c1-6-7-15(18)17(5)16(19)20-14-9-12(4)8-13(10-14)11(2)3;1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5;1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4;1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3;1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4;1-7-5-10(14-11(13)12-4)6-8(2)9(7)3;1-7-4-3-5-8(6-7)12-9(11)10-2/h8-11H,6-7H2,1-5H3;6-7H,1-5H3,(H,13,15);5-8H,1-4H3,(H,13,14);4-8H,1-3H3,(H,12,13);5-6H,1-4H3,(H,12,13);5-6H,1-4H3,(H,12,13);3-6H,1-2H3,(H,10,11)
• InChIKey: KFGDKHFCFGGUQC-UHFFFAOYSA-N
• XLogP: 17.78
• TPSA: 289.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1499.92
LogP ≤ 5	17.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate;(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate;(3-methylphenyl) N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-butanoyl-N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate;(2-propan-2-yloxyphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate?

The IUPAC name of [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate;(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate;(3-methylphenyl) N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-butanoyl-N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate;(2-propan-2-yloxyphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate (CID 173035705) is [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate;(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate;(3-methylphenyl) N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-butanoyl-N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate;(2-propan-2-yloxyphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate.

What is the SMILES notation for [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate;(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate;(3-methylphenyl) N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-butanoyl-N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate;(2-propan-2-yloxyphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate?

The canonical SMILES for [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate;(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate;(3-methylphenyl) N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-butanoyl-N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate;(2-propan-2-yloxyphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate is CCCC(=O)N(C)C(=O)Oc1cc(C)cc(C(C)C)c1.CNC(=O)Oc1cc(C)c(C)c(C)c1.CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1.CNC(=O)Oc1cc(C)c(SC)c(C)c1.CNC(=O)Oc1cc(C)cc(C(C)C)c1.CNC(=O)Oc1cccc(C)c1.CNC(=O)Oc1ccccc1OC(C)C.

What is the InChIKey of [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate;(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate;(3-methylphenyl) N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-butanoyl-N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate;(2-propan-2-yloxyphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate?

The InChIKey is KFGDKHFCFGGUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.C12H18N2O2.C12H17NO2.C11H15NO3.C11H15NO2S.C11H15NO2.C9H11NO2/c1-6-7-15(18)17(5)16(19)20-14-9-12(4)8-13(10-14)11(2)3;1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5;1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4;1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3;1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4;1-7-5-10(14-11(13)12-4)6-8(2)9(7)3;1-7-4-3-5-8(6-7)12-9(11)10-2/h8-11H,6-7H2,1-5H3;6-7H,1-5H3,(H,13,15);5-8H,1-4H3,(H,13,14);4-8H,1-3H3,(H,12,13);5-6H,1-4H3,(H,12,13);5-6H,1-4H3,(H,12,13);3-6H,1-2H3,(H,10,11).

What are the key properties of [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate;(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate;(3-methylphenyl) N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-butanoyl-N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate;(2-propan-2-yloxyphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate?

[4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate;(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate;(3-methylphenyl) N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-butanoyl-N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate;(2-propan-2-yloxyphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate has a molecular weight of 1499.92 g/mol, XLogP of 17.78, 15 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate;(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate;(3-methylphenyl) N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-butanoyl-N-methylcarbamate;(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate;(2-propan-2-yloxyphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate is sourced from PubChem (CID 173035705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).