N-(2-ethylhexyl)cyclobutanecarboxamide

C13H25NO — CID 86978105

IUPACN-(2-ethylhexyl)cyclobutanecarboxamide
SMILESCCCCC(CC)CNC(=O)C1CCC1
InChIInChI=1S/C13H25NO/c1-3-5-7-11(4-2)10-14-13(15)12-8-6-9-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyZCFXPBKHOHYEDD-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.12
Rot. Bonds7

About N-(2-ethylhexyl)cyclobutanecarboxamide

N-(2-ethylhexyl)cyclobutanecarboxamide (PubChem CID 86978105) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(2-ethylhexyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)cyclobutanecarboxamide
PubChem CID86978105
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(2-ethylhexyl)cyclobutanecarboxamide
SMILESCCCCC(CC)CNC(=O)C1CCC1
InChIInChI=1S/C13H25NO/c1-3-5-7-11(4-2)10-14-13(15)12-8-6-9-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyZCFXPBKHOHYEDD-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-ethylhexyl)cyclobutanecarboxamide (CID 86978105) is N-(2-ethylhexyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-ethylhexyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-ethylhexyl)cyclobutanecarboxamide is CCCCC(CC)CNC(=O)C1CCC1.
What is the InChIKey of N-(2-ethylhexyl)cyclobutanecarboxamide?
The InChIKey is ZCFXPBKHOHYEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-7-11(4-2)10-14-13(15)12-8-6-9-12/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(2-ethylhexyl)cyclobutanecarboxamide?
N-(2-ethylhexyl)cyclobutanecarboxamide has a molecular weight of 211.35 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)cyclobutanecarboxamide is sourced from PubChem (CID 86978105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).