(E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide

C15H29NO2 — CID 156566485

IUPAC(E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide
SMILESCCCOC/C=C/C(C)(C)C(=O)NCC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-7-10-18-11-8-9-15(5,6)13(17)16-12-14(2,3)4/h8-9H,7,10-12H2,1-6H3,(H,16,17)/b9-8+
InChIKeyXLHMLSKWFGCNOI-CMDGGOBGSA-N
MW255.40 g/mol
LogP3.16
Rot. Bonds7

About (E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide

(E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide (PubChem CID 156566485) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide.

Molecular Properties

Compound Name(E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide
PubChem CID156566485
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide
SMILESCCCOC/C=C/C(C)(C)C(=O)NCC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-7-10-18-11-8-9-15(5,6)13(17)16-12-14(2,3)4/h8-9H,7,10-12H2,1-6H3,(H,16,17)/b9-8+
InChIKeyXLHMLSKWFGCNOI-CMDGGOBGSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.16
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide?
The IUPAC name of (E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide (CID 156566485) is (E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide.
What is the SMILES notation for (E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide?
The canonical SMILES for (E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide is CCCOC/C=C/C(C)(C)C(=O)NCC(C)(C)C.
What is the InChIKey of (E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide?
The InChIKey is XLHMLSKWFGCNOI-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H29NO2/c1-7-10-18-11-8-9-15(5,6)13(17)16-12-14(2,3)4/h8-9H,7,10-12H2,1-6H3,(H,16,17)/b9-8+.
What are the key properties of (E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide?
(E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide has a molecular weight of 255.40 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide is sourced from PubChem (CID 156566485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).