4-acetamido-N-(2-ethylhexyl)cyclohexane-1-carboxamide

C17H32N2O2 — CID 20659426

IUPAC4-acetamido-N-(2-ethylhexyl)cyclohexane-1-carboxamide
SMILESCCCCC(CC)CNC(=O)C1CCC(NC(C)=O)CC1
InChIInChI=1S/C17H32N2O2/c1-4-6-7-14(5-2)12-18-17(21)15-8-10-16(11-9-15)19-13(3)20/h14-16H,4-12H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyHLGWLLRPWWRITK-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.01
Rot. Bonds8

About 4-acetamido-N-(2-ethylhexyl)cyclohexane-1-carboxamide

4-acetamido-N-(2-ethylhexyl)cyclohexane-1-carboxamide (PubChem CID 20659426) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 4-acetamido-N-(2-ethylhexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-acetamido-N-(2-ethylhexyl)cyclohexane-1-carboxamide
PubChem CID20659426
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name4-acetamido-N-(2-ethylhexyl)cyclohexane-1-carboxamide
SMILESCCCCC(CC)CNC(=O)C1CCC(NC(C)=O)CC1
InChIInChI=1S/C17H32N2O2/c1-4-6-7-14(5-2)12-18-17(21)15-8-10-16(11-9-15)19-13(3)20/h14-16H,4-12H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyHLGWLLRPWWRITK-UHFFFAOYSA-N
XLogP3.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2-ethylhexyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-acetamido-N-(2-ethylhexyl)cyclohexane-1-carboxamide (CID 20659426) is 4-acetamido-N-(2-ethylhexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-acetamido-N-(2-ethylhexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-acetamido-N-(2-ethylhexyl)cyclohexane-1-carboxamide is CCCCC(CC)CNC(=O)C1CCC(NC(C)=O)CC1.
What is the InChIKey of 4-acetamido-N-(2-ethylhexyl)cyclohexane-1-carboxamide?
The InChIKey is HLGWLLRPWWRITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-6-7-14(5-2)12-18-17(21)15-8-10-16(11-9-15)19-13(3)20/h14-16H,4-12H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 4-acetamido-N-(2-ethylhexyl)cyclohexane-1-carboxamide?
4-acetamido-N-(2-ethylhexyl)cyclohexane-1-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2-ethylhexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 20659426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).