(E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide

C16H31NO2 — CID 156566724

IUPAC(E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide
SMILESCC(C)CNC(=O)C(C)(C)/C=C/COCC(C)(C)C
InChIInChI=1S/C16H31NO2/c1-13(2)11-17-14(18)16(6,7)9-8-10-19-12-15(3,4)5/h8-9,13H,10-12H2,1-7H3,(H,17,18)/b9-8+
InChIKeyKDEOECIYQPIESG-CMDGGOBGSA-N
MW269.43 g/mol
LogP3.40
Rot. Bonds7

About (E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide

(E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide (PubChem CID 156566724) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide.

Molecular Properties

Compound Name(E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide
PubChem CID156566724
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide
SMILESCC(C)CNC(=O)C(C)(C)/C=C/COCC(C)(C)C
InChIInChI=1S/C16H31NO2/c1-13(2)11-17-14(18)16(6,7)9-8-10-19-12-15(3,4)5/h8-9,13H,10-12H2,1-7H3,(H,17,18)/b9-8+
InChIKeyKDEOECIYQPIESG-CMDGGOBGSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide?
The IUPAC name of (E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide (CID 156566724) is (E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide.
What is the SMILES notation for (E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide?
The canonical SMILES for (E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide is CC(C)CNC(=O)C(C)(C)/C=C/COCC(C)(C)C.
What is the InChIKey of (E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide?
The InChIKey is KDEOECIYQPIESG-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13(2)11-17-14(18)16(6,7)9-8-10-19-12-15(3,4)5/h8-9,13H,10-12H2,1-7H3,(H,17,18)/b9-8+.
What are the key properties of (E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide?
(E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide has a molecular weight of 269.43 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide is sourced from PubChem (CID 156566724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).