(E)-3-butoxy-N-hexylbut-2-enamide

C14H27NO2 — CID 101253884

IUPAC(E)-3-butoxy-N-hexylbut-2-enamide
SMILESCCCCCCNC(=O)/C=C(\C)OCCCC
InChIInChI=1S/C14H27NO2/c1-4-6-8-9-10-15-14(16)12-13(3)17-11-7-5-2/h12H,4-11H2,1-3H3,(H,15,16)/b13-12+
InChIKeyQYPBXQCJNKKCAI-OUKQBFOZSA-N
MW241.37 g/mol
LogP3.40
Rot. Bonds10

About (E)-3-butoxy-N-hexylbut-2-enamide

(E)-3-butoxy-N-hexylbut-2-enamide (PubChem CID 101253884) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (E)-3-butoxy-N-hexylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-butoxy-N-hexylbut-2-enamide
PubChem CID101253884
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(E)-3-butoxy-N-hexylbut-2-enamide
SMILESCCCCCCNC(=O)/C=C(\C)OCCCC
InChIInChI=1S/C14H27NO2/c1-4-6-8-9-10-15-14(16)12-13(3)17-11-7-5-2/h12H,4-11H2,1-3H3,(H,15,16)/b13-12+
InChIKeyQYPBXQCJNKKCAI-OUKQBFOZSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-butoxy-N-hexylbut-2-enamide?
The IUPAC name of (E)-3-butoxy-N-hexylbut-2-enamide (CID 101253884) is (E)-3-butoxy-N-hexylbut-2-enamide.
What is the SMILES notation for (E)-3-butoxy-N-hexylbut-2-enamide?
The canonical SMILES for (E)-3-butoxy-N-hexylbut-2-enamide is CCCCCCNC(=O)/C=C(\C)OCCCC.
What is the InChIKey of (E)-3-butoxy-N-hexylbut-2-enamide?
The InChIKey is QYPBXQCJNKKCAI-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-6-8-9-10-15-14(16)12-13(3)17-11-7-5-2/h12H,4-11H2,1-3H3,(H,15,16)/b13-12+.
What are the key properties of (E)-3-butoxy-N-hexylbut-2-enamide?
(E)-3-butoxy-N-hexylbut-2-enamide has a molecular weight of 241.37 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-butoxy-N-hexylbut-2-enamide is sourced from PubChem (CID 101253884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).