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

C15H27NO4 — CID 167420659

IUPAC(E)-5-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-4-oxohex-2-enamide
SMILESCC(C)COCCOCCNC(=O)/C=C/C(=O)C(C)C
InChIInChI=1S/C15H27NO4/c1-12(2)11-20-10-9-19-8-7-16-15(18)6-5-14(17)13(3)4/h5-6,12-13H,7-11H2,1-4H3,(H,16,18)/b6-5+
InChIKeyVCLPIQVMJZXTAC-AATRIKPKSA-N
MW285.38 g/mol
LogP1.57
Rot. Bonds11

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

(E)-5-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-4-oxohex-2-enamide (PubChem CID 167420659) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is (E)-5-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-4-oxohex-2-enamide.

Molecular Properties

Compound Name(E)-5-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-4-oxohex-2-enamide
PubChem CID167420659
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name(E)-5-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-4-oxohex-2-enamide
SMILESCC(C)COCCOCCNC(=O)/C=C/C(=O)C(C)C
InChIInChI=1S/C15H27NO4/c1-12(2)11-20-10-9-19-8-7-16-15(18)6-5-14(17)13(3)4/h5-6,12-13H,7-11H2,1-4H3,(H,16,18)/b6-5+
InChIKeyVCLPIQVMJZXTAC-AATRIKPKSA-N
XLogP1.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.57
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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Related Compounds

(E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide
CID 58348969
4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide
CID 123371623
(E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide
CID 129085037
(E)-6-(2-methoxyethylamino)-2-methylhex-4-en-3-one
CID 135175938
(E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide
CID 138726684
(E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide
CID 138726688
(Z)-N-[2-(2-hydroxyethoxy)ethyl]-4-oxopent-2-enamide
CID 139380319
(E)-N-[2-[2-(2,2-dimethylbutoxy)ethoxy]ethyl]-4-methylpent-2-enamide
CID 146384542
(E)-N-[2-(2-acetamidoethoxy)ethyl]-4-methylpent-2-enamide
CID 159361776
(E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide
CID 166975191
(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide
CID 166975343
(Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide
CID 167221926

Frequently Asked Questions

What is the IUPAC name of (E)-5-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-4-oxohex-2-enamide?
The IUPAC name of (E)-5-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-4-oxohex-2-enamide (CID 167420659) is (E)-5-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-4-oxohex-2-enamide.
What is the SMILES notation for (E)-5-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-4-oxohex-2-enamide?
The canonical SMILES for (E)-5-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-4-oxohex-2-enamide is CC(C)COCCOCCNC(=O)/C=C/C(=O)C(C)C.
What is the InChIKey of (E)-5-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-4-oxohex-2-enamide?
The InChIKey is VCLPIQVMJZXTAC-AATRIKPKSA-N. The full InChI is InChI=1S/C15H27NO4/c1-12(2)11-20-10-9-19-8-7-16-15(18)6-5-14(17)13(3)4/h5-6,12-13H,7-11H2,1-4H3,(H,16,18)/b6-5+.
What are the key properties of (E)-5-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-4-oxohex-2-enamide?
(E)-5-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-4-oxohex-2-enamide has a molecular weight of 285.38 g/mol, XLogP of 1.57, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-4-oxohex-2-enamide is sourced from PubChem (CID 167420659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).