4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide

C15H29NO2 — CID 123371623

IUPAC4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide
SMILESCCC(C)C=CC(=O)NCCOC(C)(CC)CC
InChIInChI=1S/C15H29NO2/c1-6-13(4)9-10-14(17)16-11-12-18-15(5,7-2)8-3/h9-10,13H,6-8,11-12H2,1-5H3,(H,16,17)
InChIKeyRPDXWKBFVWZIPZ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.30
Rot. Bonds9

About 4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide

4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide (PubChem CID 123371623) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide.

Molecular Properties

Compound Name4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide
PubChem CID123371623
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide
SMILESCCC(C)C=CC(=O)NCCOC(C)(CC)CC
InChIInChI=1S/C15H29NO2/c1-6-13(4)9-10-14(17)16-11-12-18-15(5,7-2)8-3/h9-10,13H,6-8,11-12H2,1-5H3,(H,16,17)
InChIKeyRPDXWKBFVWZIPZ-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,4-dioxan-2-ylmethyl)-5-methylnon-2-enamide
CID 123762524
ethane;(E)-N-(2-hydroxy-2-methylpropyl)-3-(oxan-4-yl)prop-2-enamide
CID 142896679
N-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide
CID 148512966
(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
(E)-5-methyl-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide
CID 167408477
(E)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide
CID 167408495
(Z)-5-methyl-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide
CID 167408525
(Z)-5-methyl-N-[2-(2-methylpropoxy)ethyl]-4-oxohex-2-enamide
CID 167408528
(E)-5-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-4-oxohex-2-enamide
CID 167420659

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide?
The IUPAC name of 4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide (CID 123371623) is 4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide.
What is the SMILES notation for 4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide?
The canonical SMILES for 4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide is CCC(C)C=CC(=O)NCCOC(C)(CC)CC.
What is the InChIKey of 4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide?
The InChIKey is RPDXWKBFVWZIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-13(4)9-10-14(17)16-11-12-18-15(5,7-2)8-3/h9-10,13H,6-8,11-12H2,1-5H3,(H,16,17).
What are the key properties of 4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide?
4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide has a molecular weight of 255.40 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-methylpentan-3-yloxy)ethyl]hex-2-enamide is sourced from PubChem (CID 123371623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).