(Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide

C13H23NO3 — CID 167221926

IUPAC(Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide
SMILESCCCCOCCNC(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C13H23NO3/c1-4-5-9-17-10-8-14-13(16)7-6-12(15)11(2)3/h6-7,11H,4-5,8-10H2,1-3H3,(H,14,16)/b7-6-
InChIKeyFBCSEPWREYTERJ-SREVYHEPSA-N
MW241.33 g/mol
LogP1.70
Rot. Bonds9

About (Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide

(Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide (PubChem CID 167221926) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide
PubChem CID167221926
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide
SMILESCCCCOCCNC(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C13H23NO3/c1-4-5-9-17-10-8-14-13(16)7-6-12(15)11(2)3/h6-7,11H,4-5,8-10H2,1-3H3,(H,14,16)/b7-6-
InChIKeyFBCSEPWREYTERJ-SREVYHEPSA-N
XLogP1.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide?
The IUPAC name of (Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide (CID 167221926) is (Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide.
What is the SMILES notation for (Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide?
The canonical SMILES for (Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide is CCCCOCCNC(=O)/C=C\C(=O)C(C)C.
What is the InChIKey of (Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide?
The InChIKey is FBCSEPWREYTERJ-SREVYHEPSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-5-9-17-10-8-14-13(16)7-6-12(15)11(2)3/h6-7,11H,4-5,8-10H2,1-3H3,(H,14,16)/b7-6-.
What are the key properties of (Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide?
(Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide has a molecular weight of 241.33 g/mol, XLogP of 1.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide is sourced from PubChem (CID 167221926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).