2-(2-butoxyethoxy)-N-(4-propan-2-ylcyclohexyl)acetamide

C17H33NO3 — CID 166461732

IUPAC2-(2-butoxyethoxy)-N-(4-propan-2-ylcyclohexyl)acetamide
SMILESCCCCOCCOCC(=O)NC1CCC(C(C)C)CC1
InChIInChI=1S/C17H33NO3/c1-4-5-10-20-11-12-21-13-17(19)18-16-8-6-15(7-9-16)14(2)3/h14-16H,4-13H2,1-3H3,(H,18,19)
InChIKeyWHJZIVXBIUJAMI-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.15
Rot. Bonds10

About 2-(2-butoxyethoxy)-N-(4-propan-2-ylcyclohexyl)acetamide

2-(2-butoxyethoxy)-N-(4-propan-2-ylcyclohexyl)acetamide (PubChem CID 166461732) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-N-(4-propan-2-ylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-N-(4-propan-2-ylcyclohexyl)acetamide
PubChem CID166461732
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Name2-(2-butoxyethoxy)-N-(4-propan-2-ylcyclohexyl)acetamide
SMILESCCCCOCCOCC(=O)NC1CCC(C(C)C)CC1
InChIInChI=1S/C17H33NO3/c1-4-5-10-20-11-12-21-13-17(19)18-16-8-6-15(7-9-16)14(2)3/h14-16H,4-13H2,1-3H3,(H,18,19)
InChIKeyWHJZIVXBIUJAMI-UHFFFAOYSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(2-butoxyethoxy)-N-(4-propan-2-ylcyclohexyl)acetamide?
The IUPAC name of 2-(2-butoxyethoxy)-N-(4-propan-2-ylcyclohexyl)acetamide (CID 166461732) is 2-(2-butoxyethoxy)-N-(4-propan-2-ylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-butoxyethoxy)-N-(4-propan-2-ylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-butoxyethoxy)-N-(4-propan-2-ylcyclohexyl)acetamide is CCCCOCCOCC(=O)NC1CCC(C(C)C)CC1.
What is the InChIKey of 2-(2-butoxyethoxy)-N-(4-propan-2-ylcyclohexyl)acetamide?
The InChIKey is WHJZIVXBIUJAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-4-5-10-20-11-12-21-13-17(19)18-16-8-6-15(7-9-16)14(2)3/h14-16H,4-13H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-butoxyethoxy)-N-(4-propan-2-ylcyclohexyl)acetamide?
2-(2-butoxyethoxy)-N-(4-propan-2-ylcyclohexyl)acetamide has a molecular weight of 299.46 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-N-(4-propan-2-ylcyclohexyl)acetamide is sourced from PubChem (CID 166461732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).