N-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide

C20H38N2O2S — CID 163441915

IUPACN-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide
SMILESCCCCCN1CCSC1CN(CC)C(=O)COC1CCC(C)CC1
InChIInChI=1S/C20H38N2O2S/c1-4-6-7-12-22-13-14-25-20(22)15-21(5-2)19(23)16-24-18-10-8-17(3)9-11-18/h17-18,20H,4-16H2,1-3H3
InChIKeyAZGTXCVEZKHHIV-UHFFFAOYSA-N
MW370.60 g/mol
LogP4.00
Rot. Bonds10

About N-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide

N-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide (PubChem CID 163441915) has the molecular formula C20H38N2O2S and a molecular weight of 370.60 g/mol. Its IUPAC name is N-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide
PubChem CID163441915
Molecular FormulaC20H38N2O2S
Molecular Weight370.60 g/mol
Exact Mass370.27
IUPAC NameN-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide
SMILESCCCCCN1CCSC1CN(CC)C(=O)COC1CCC(C)CC1
InChIInChI=1S/C20H38N2O2S/c1-4-6-7-12-22-13-14-25-20(22)15-21(5-2)19(23)16-24-18-10-8-17(3)9-11-18/h17-18,20H,4-16H2,1-3H3
InChIKeyAZGTXCVEZKHHIV-UHFFFAOYSA-N
XLogP4.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.60
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide?
The IUPAC name of N-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide (CID 163441915) is N-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide.
What is the SMILES notation for N-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide?
The canonical SMILES for N-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide is CCCCCN1CCSC1CN(CC)C(=O)COC1CCC(C)CC1.
What is the InChIKey of N-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide?
The InChIKey is AZGTXCVEZKHHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2S/c1-4-6-7-12-22-13-14-25-20(22)15-21(5-2)19(23)16-24-18-10-8-17(3)9-11-18/h17-18,20H,4-16H2,1-3H3.
What are the key properties of N-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide?
N-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide has a molecular weight of 370.60 g/mol, XLogP of 4.00, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 163441915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).