4-methoxy-N-[[4-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]cyclohexyl]methyl]-N-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide

C34H46N2O4S — CID 166959758

About 4-methoxy-N-[[4-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]cyclohexyl]methyl]-N-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide

4-methoxy-N-[[4-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]cyclohexyl]methyl]-N-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 166959758) has the molecular formula C34H46N2O4S and a molecular weight of 578.82 g/mol. Its IUPAC name is 4-methoxy-N-[[4-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]cyclohexyl]methyl]-N-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[[4-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]cyclohexyl]methyl]-N-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide
• PubChem CID: 166959758
• Molecular Formula: C34H46N2O4S
• Molecular Weight: 578.82 g/mol
• Exact Mass: 578.32
• IUPAC Name: 4-methoxy-N-[[4-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]cyclohexyl]methyl]-N-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide
• SMILES: C=C(/C=C\C(OC)=C(C)C)C1CCC(CN(C(=O)C2CCC(OC)CC2)c2cccc(-c3cnc(OC)s3)c2)CC1
• InChI: InChI=1S/C34H46N2O4S/c1-23(2)31(39-5)19-10-24(3)26-13-11-25(12-14-26)22-36(33(37)27-15-17-30(38-4)18-16-27)29-9-7-8-28(20-29)32-21-35-34(40-6)41-32/h7-10,19-21,25-27,30H,3,11-18,22H2,1-2,4-6H3/b19-10-
• InChIKey: GIWMVZDLXZKOKY-GRSHGNNSSA-N
• XLogP: 8.22
• TPSA: 60.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.82
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]cyclohexyl]methyl]-N-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide?

The IUPAC name of 4-methoxy-N-[[4-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]cyclohexyl]methyl]-N-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide (CID 166959758) is 4-methoxy-N-[[4-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]cyclohexyl]methyl]-N-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide.

What is the SMILES notation for 4-methoxy-N-[[4-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]cyclohexyl]methyl]-N-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide?

The canonical SMILES for 4-methoxy-N-[[4-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]cyclohexyl]methyl]-N-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide is C=C(/C=C\C(OC)=C(C)C)C1CCC(CN(C(=O)C2CCC(OC)CC2)c2cccc(-c3cnc(OC)s3)c2)CC1.

What is the InChIKey of 4-methoxy-N-[[4-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]cyclohexyl]methyl]-N-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide?

The InChIKey is GIWMVZDLXZKOKY-GRSHGNNSSA-N. The full InChI is InChI=1S/C34H46N2O4S/c1-23(2)31(39-5)19-10-24(3)26-13-11-25(12-14-26)22-36(33(37)27-15-17-30(38-4)18-16-27)29-9-7-8-28(20-29)32-21-35-34(40-6)41-32/h7-10,19-21,25-27,30H,3,11-18,22H2,1-2,4-6H3/b19-10-.

What are the key properties of 4-methoxy-N-[[4-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]cyclohexyl]methyl]-N-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide?

4-methoxy-N-[[4-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]cyclohexyl]methyl]-N-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 578.82 g/mol, XLogP of 8.22, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[[4-[(3Z)-5-methoxy-6-methylhepta-1,3,5-trien-2-yl]cyclohexyl]methyl]-N-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 166959758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).