(E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-3-enamide

C17H33NO2 — CID 146792696

IUPAC(E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-3-enamide
SMILESCC(C)(C)CNC(=O)C(C)(C)/C=C/COCC(C)(C)C
InChIInChI=1S/C17H33NO2/c1-15(2,3)12-18-14(19)17(7,8)10-9-11-20-13-16(4,5)6/h9-10H,11-13H2,1-8H3,(H,18,19)/b10-9+
InChIKeyRWDNQHLVRYRZRT-MDZDMXLPSA-N
MW283.46 g/mol
LogP3.79
Rot. Bonds6

About (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-3-enamide

(E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-3-enamide (PubChem CID 146792696) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-3-enamide.

Molecular Properties

Compound Name(E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-3-enamide
PubChem CID146792696
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name(E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-3-enamide
SMILESCC(C)(C)CNC(=O)C(C)(C)/C=C/COCC(C)(C)C
InChIInChI=1S/C17H33NO2/c1-15(2,3)12-18-14(19)17(7,8)10-9-11-20-13-16(4,5)6/h9-10H,11-13H2,1-8H3,(H,18,19)/b10-9+
InChIKeyRWDNQHLVRYRZRT-MDZDMXLPSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.79
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)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-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)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-3-enamide?
The IUPAC name of (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-3-enamide (CID 146792696) is (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-3-enamide.
What is the SMILES notation for (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-3-enamide?
The canonical SMILES for (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-3-enamide is CC(C)(C)CNC(=O)C(C)(C)/C=C/COCC(C)(C)C.
What is the InChIKey of (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-3-enamide?
The InChIKey is RWDNQHLVRYRZRT-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H33NO2/c1-15(2,3)12-18-14(19)17(7,8)10-9-11-20-13-16(4,5)6/h9-10H,11-13H2,1-8H3,(H,18,19)/b10-9+.
What are the key properties of (E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-3-enamide?
(E)-5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-3-enamide has a molecular weight of 283.46 g/mol, XLogP of 3.79, 6 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)-N-(2,2-dimethylpropyl)-2,2-dimethylpent-3-enamide is sourced from PubChem (CID 146792696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).