N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide

C15H29NO2S — CID 46990211

IUPACN-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide
SMILESCCSCCN(C(=O)COC(C)C)C1CCCCC1
InChIInChI=1S/C15H29NO2S/c1-4-19-11-10-16(14-8-6-5-7-9-14)15(17)12-18-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyLXFCODOXVSMBQQ-UHFFFAOYSA-N
MW287.47 g/mol
LogP3.33
Rot. Bonds8

About N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide

N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide (PubChem CID 46990211) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide
PubChem CID46990211
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC NameN-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide
SMILESCCSCCN(C(=O)COC(C)C)C1CCCCC1
InChIInChI=1S/C15H29NO2S/c1-4-19-11-10-16(14-8-6-5-7-9-14)15(17)12-18-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyLXFCODOXVSMBQQ-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-cyclohexyl-2-propan-2-yloxyacetamide
CID 112604227
N-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide
CID 102872450
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide
CID 112602755
N-cyclopentyl-N-methyl-2-propan-2-yloxyacetamide
CID 112686921
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide
CID 103940496
N-cyclohexyl-5-propan-2-yloxy-N-propylpentanamide
CID 153483419
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide
CID 80659612
N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide
CID 113227391
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide
CID 82103917
N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide
CID 114876819
1-cyclopentyl-2-propan-2-yloxyethanone
CID 79567551
N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112602446

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide (CID 46990211) is N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide is CCSCCN(C(=O)COC(C)C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide?
The InChIKey is LXFCODOXVSMBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-4-19-11-10-16(14-8-6-5-7-9-14)15(17)12-18-13(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide?
N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide has a molecular weight of 287.47 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 46990211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).