N-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

C21H37NO2S — CID 140621995

IUPACN-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCCC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCC2)CC1
InChIInChI=1S/C21H37NO2S/c1-2-17-10-12-19(13-11-17)24-16-21(23)22(15-20-9-6-14-25-20)18-7-4-3-5-8-18/h17-20H,2-16H2,1H3
InChIKeyTYKXYDABJQFQQW-UHFFFAOYSA-N
MW367.60 g/mol
LogP5.03
Rot. Bonds7

About N-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

N-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 140621995) has the molecular formula C21H37NO2S and a molecular weight of 367.60 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
PubChem CID140621995
Molecular FormulaC21H37NO2S
Molecular Weight367.60 g/mol
Exact Mass367.25
IUPAC NameN-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCCC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCC2)CC1
InChIInChI=1S/C21H37NO2S/c1-2-17-10-12-19(13-11-17)24-16-21(23)22(15-20-9-6-14-25-20)18-7-4-3-5-8-18/h17-20H,2-16H2,1H3
InChIKeyTYKXYDABJQFQQW-UHFFFAOYSA-N
XLogP5.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.60
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (CID 140621995) is N-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is CCC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is TYKXYDABJQFQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO2S/c1-2-17-10-12-19(13-11-17)24-16-21(23)22(15-20-9-6-14-25-20)18-7-4-3-5-8-18/h17-20H,2-16H2,1H3.
What are the key properties of N-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
N-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 367.60 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 140621995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).