N-butyl-N-ethenyl-2-ethylhexanamide

C14H27NO — CID 87457878

IUPACN-butyl-N-ethenyl-2-ethylhexanamide
SMILESC=CN(CCCC)C(=O)C(CC)CCCC
InChIInChI=1S/C14H27NO/c1-5-9-11-13(7-3)14(16)15(8-4)12-10-6-2/h8,13H,4-7,9-12H2,1-3H3
InChIKeyWWSUYHJXLOEYMW-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.97
Rot. Bonds9

About N-butyl-N-ethenyl-2-ethylhexanamide

N-butyl-N-ethenyl-2-ethylhexanamide (PubChem CID 87457878) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-butyl-N-ethenyl-2-ethylhexanamide.

Molecular Properties

Compound NameN-butyl-N-ethenyl-2-ethylhexanamide
PubChem CID87457878
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-butyl-N-ethenyl-2-ethylhexanamide
SMILESC=CN(CCCC)C(=O)C(CC)CCCC
InChIInChI=1S/C14H27NO/c1-5-9-11-13(7-3)14(16)15(8-4)12-10-6-2/h8,13H,4-7,9-12H2,1-3H3
InChIKeyWWSUYHJXLOEYMW-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethenyl-2-ethylhexanamide?
The IUPAC name of N-butyl-N-ethenyl-2-ethylhexanamide (CID 87457878) is N-butyl-N-ethenyl-2-ethylhexanamide.
What is the SMILES notation for N-butyl-N-ethenyl-2-ethylhexanamide?
The canonical SMILES for N-butyl-N-ethenyl-2-ethylhexanamide is C=CN(CCCC)C(=O)C(CC)CCCC.
What is the InChIKey of N-butyl-N-ethenyl-2-ethylhexanamide?
The InChIKey is WWSUYHJXLOEYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-9-11-13(7-3)14(16)15(8-4)12-10-6-2/h8,13H,4-7,9-12H2,1-3H3.
What are the key properties of N-butyl-N-ethenyl-2-ethylhexanamide?
N-butyl-N-ethenyl-2-ethylhexanamide has a molecular weight of 225.38 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethenyl-2-ethylhexanamide is sourced from PubChem (CID 87457878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).