N-ethyl-2-methyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)propanamide

C18H33NO2S — CID 90227746

IUPACN-ethyl-2-methyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)propanamide
SMILESCCN(CC1CCCS1)C(=O)C(C)(C)OC1CCC(C)CC1
InChIInChI=1S/C18H33NO2S/c1-5-19(13-16-7-6-12-22-16)17(20)18(3,4)21-15-10-8-14(2)9-11-15/h14-16H,5-13H2,1-4H3
InChIKeyBADOVVSTXQUWMH-UHFFFAOYSA-N
MW327.53 g/mol
LogP4.10
Rot. Bonds6

About N-ethyl-2-methyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)propanamide

N-ethyl-2-methyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)propanamide (PubChem CID 90227746) has the molecular formula C18H33NO2S and a molecular weight of 327.53 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)propanamide
PubChem CID90227746
Molecular FormulaC18H33NO2S
Molecular Weight327.53 g/mol
Exact Mass327.22
IUPAC NameN-ethyl-2-methyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)propanamide
SMILESCCN(CC1CCCS1)C(=O)C(C)(C)OC1CCC(C)CC1
InChIInChI=1S/C18H33NO2S/c1-5-19(13-16-7-6-12-22-16)17(20)18(3,4)21-15-10-8-14(2)9-11-15/h14-16H,5-13H2,1-4H3
InChIKeyBADOVVSTXQUWMH-UHFFFAOYSA-N
XLogP4.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.53
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)propanamide?
The IUPAC name of N-ethyl-2-methyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)propanamide (CID 90227746) is N-ethyl-2-methyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)propanamide.
What is the SMILES notation for N-ethyl-2-methyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)propanamide?
The canonical SMILES for N-ethyl-2-methyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)propanamide is CCN(CC1CCCS1)C(=O)C(C)(C)OC1CCC(C)CC1.
What is the InChIKey of N-ethyl-2-methyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)propanamide?
The InChIKey is BADOVVSTXQUWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2S/c1-5-19(13-16-7-6-12-22-16)17(20)18(3,4)21-15-10-8-14(2)9-11-15/h14-16H,5-13H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)propanamide?
N-ethyl-2-methyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)propanamide has a molecular weight of 327.53 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)propanamide is sourced from PubChem (CID 90227746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).