N-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide

C13H24N2O2S — CID 61121811

IUPACN-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC1(C(N)=S)CCC(CC)CC1
InChIInChI=1S/C13H24N2O2S/c1-3-10-5-7-13(8-6-10,12(14)18)15-11(16)9-17-4-2/h10H,3-9H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyFZCSBYKUWPLTQR-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.76
Rot. Bonds6

About N-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide

N-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide (PubChem CID 61121811) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide
PubChem CID61121811
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC1(C(N)=S)CCC(CC)CC1
InChIInChI=1S/C13H24N2O2S/c1-3-10-5-7-13(8-6-10,12(14)18)15-11(16)9-17-4-2/h10H,3-9H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyFZCSBYKUWPLTQR-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide?
The IUPAC name of N-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide (CID 61121811) is N-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide?
The canonical SMILES for N-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide is CCOCC(=O)NC1(C(N)=S)CCC(CC)CC1.
What is the InChIKey of N-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide?
The InChIKey is FZCSBYKUWPLTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-3-10-5-7-13(8-6-10,12(14)18)15-11(16)9-17-4-2/h10H,3-9H2,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of N-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide?
N-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide has a molecular weight of 272.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide is sourced from PubChem (CID 61121811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).