(Z)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide

C13H23NO3 — CID 167408528

IUPAC(Z)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide
SMILESCC(C)COCCNC(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C13H23NO3/c1-10(2)9-17-8-7-14-13(16)6-5-12(15)11(3)4/h5-6,10-11H,7-9H2,1-4H3,(H,14,16)/b6-5-
InChIKeyXWVCPSVXVDWGIO-WAYWQWQTSA-N
MW241.33 g/mol
LogP1.56
Rot. Bonds8

About (Z)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide

(Z)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide (PubChem CID 167408528) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (Z)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide.

Molecular Properties

Compound Name(Z)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide
PubChem CID167408528
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(Z)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide
SMILESCC(C)COCCNC(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C13H23NO3/c1-10(2)9-17-8-7-14-13(16)6-5-12(15)11(3)4/h5-6,10-11H,7-9H2,1-4H3,(H,14,16)/b6-5-
InChIKeyXWVCPSVXVDWGIO-WAYWQWQTSA-N
XLogP1.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.56
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)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide?
The IUPAC name of (Z)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide (CID 167408528) is (Z)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide.
What is the SMILES notation for (Z)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide?
The canonical SMILES for (Z)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide is CC(C)COCCNC(=O)/C=C\C(=O)C(C)C.
What is the InChIKey of (Z)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide?
The InChIKey is XWVCPSVXVDWGIO-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(2)9-17-8-7-14-13(16)6-5-12(15)11(3)4/h5-6,10-11H,7-9H2,1-4H3,(H,14,16)/b6-5-.
What are the key properties of (Z)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide?
(Z)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide has a molecular weight of 241.33 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide is sourced from PubChem (CID 167408528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).