(Z)-5-methyl-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide

C14H25NO4 — CID 167420662

IUPAC(Z)-5-methyl-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide
SMILESCC(C)OCCOCCNC(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C14H25NO4/c1-11(2)13(16)5-6-14(17)15-7-8-18-9-10-19-12(3)4/h5-6,11-12H,7-10H2,1-4H3,(H,15,17)/b6-5-
InChIKeyRKOIRVPSXBEXAN-WAYWQWQTSA-N
MW271.36 g/mol
LogP1.33
Rot. Bonds10

About (Z)-5-methyl-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide

(Z)-5-methyl-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide (PubChem CID 167420662) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (Z)-5-methyl-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide.

Molecular Properties

Compound Name(Z)-5-methyl-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide
PubChem CID167420662
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(Z)-5-methyl-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide
SMILESCC(C)OCCOCCNC(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C14H25NO4/c1-11(2)13(16)5-6-14(17)15-7-8-18-9-10-19-12(3)4/h5-6,11-12H,7-10H2,1-4H3,(H,15,17)/b6-5-
InChIKeyRKOIRVPSXBEXAN-WAYWQWQTSA-N
XLogP1.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide?
The IUPAC name of (Z)-5-methyl-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide (CID 167420662) is (Z)-5-methyl-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide.
What is the SMILES notation for (Z)-5-methyl-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide?
The canonical SMILES for (Z)-5-methyl-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide is CC(C)OCCOCCNC(=O)/C=C\C(=O)C(C)C.
What is the InChIKey of (Z)-5-methyl-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide?
The InChIKey is RKOIRVPSXBEXAN-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H25NO4/c1-11(2)13(16)5-6-14(17)15-7-8-18-9-10-19-12(3)4/h5-6,11-12H,7-10H2,1-4H3,(H,15,17)/b6-5-.
What are the key properties of (Z)-5-methyl-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide?
(Z)-5-methyl-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide has a molecular weight of 271.36 g/mol, XLogP of 1.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide is sourced from PubChem (CID 167420662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).