N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide

C13H25NO3S — CID 54942888

IUPACN-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C13H25NO3S/c1-17-9-10-18-11-13(16)14(7-8-15)12-5-3-2-4-6-12/h12,15H,2-11H2,1H3
InChIKeyNRSCNMTXXPZVAM-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.52
Rot. Bonds8

About N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide

N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide (PubChem CID 54942888) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide
PubChem CID54942888
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC NameN-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C13H25NO3S/c1-17-9-10-18-11-13(16)14(7-8-15)12-5-3-2-4-6-12/h12,15H,2-11H2,1H3
InChIKeyNRSCNMTXXPZVAM-UHFFFAOYSA-N
XLogP1.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
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-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide?
The IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide (CID 54942888) is N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide is COCCSCC(=O)N(CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide?
The InChIKey is NRSCNMTXXPZVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-17-9-10-18-11-13(16)14(7-8-15)12-5-3-2-4-6-12/h12,15H,2-11H2,1H3.
What are the key properties of N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide?
N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide has a molecular weight of 275.41 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide is sourced from PubChem (CID 54942888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).