[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] N,N-dimethylcarbamate

C35H45N3O5S — CID 135330366

About [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] N,N-dimethylcarbamate

[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] N,N-dimethylcarbamate (PubChem CID 135330366) has the molecular formula C35H45N3O5S and a molecular weight of 619.83 g/mol. Its IUPAC name is [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] N,N-dimethylcarbamate.

Molecular Properties

• Compound Name: [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] N,N-dimethylcarbamate
• PubChem CID: 135330366
• Molecular Formula: C35H45N3O5S
• Molecular Weight: 619.83 g/mol
• Exact Mass: 619.31
• IUPAC Name: [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] N,N-dimethylcarbamate
• SMILES: COc1ncc(-c2cccc(N(CC3CCC(c4ccc(OC)c(C)c4)CC3)C(=O)C3CCC(OC(=O)N(C)C)CC3)c2)s1
• InChI: InChI=1S/C35H45N3O5S/c1-23-19-27(15-18-31(23)41-4)25-11-9-24(10-12-25)22-38(29-8-6-7-28(20-29)32-21-36-34(42-5)44-32)33(39)26-13-16-30(17-14-26)43-35(40)37(2)3/h6-8,15,18-21,24-26,30H,9-14,16-17,22H2,1-5H3
• InChIKey: JENLMNJGZFLXAI-UHFFFAOYSA-N
• XLogP: 7.70
• TPSA: 81.20 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.83
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] N,N-dimethylcarbamate?

The IUPAC name of [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] N,N-dimethylcarbamate (CID 135330366) is [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] N,N-dimethylcarbamate.

What is the SMILES notation for [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] N,N-dimethylcarbamate?

The canonical SMILES for [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] N,N-dimethylcarbamate is COc1ncc(-c2cccc(N(CC3CCC(c4ccc(OC)c(C)c4)CC3)C(=O)C3CCC(OC(=O)N(C)C)CC3)c2)s1.

What is the InChIKey of [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] N,N-dimethylcarbamate?

The InChIKey is JENLMNJGZFLXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N3O5S/c1-23-19-27(15-18-31(23)41-4)25-11-9-24(10-12-25)22-38(29-8-6-7-28(20-29)32-21-36-34(42-5)44-32)33(39)26-13-16-30(17-14-26)43-35(40)37(2)3/h6-8,15,18-21,24-26,30H,9-14,16-17,22H2,1-5H3.

What are the key properties of [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] N,N-dimethylcarbamate?

[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] N,N-dimethylcarbamate has a molecular weight of 619.83 g/mol, XLogP of 7.70, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]carbamoyl]cyclohexyl] N,N-dimethylcarbamate is sourced from PubChem (CID 135330366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).