N-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide

C18H33NO2 — CID 135129592

IUPACN-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide
SMILESC=CCNC(=O)C(=C)COC(C)(C)CC(C)CC(C)CC
InChIInChI=1S/C18H33NO2/c1-8-10-19-17(20)16(5)13-21-18(6,7)12-15(4)11-14(3)9-2/h8,14-15H,1,5,9-13H2,2-4,6-7H3,(H,19,20)
InChIKeyDTZPJGNVHZXYAR-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.10
Rot. Bonds11

About N-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide

N-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide (PubChem CID 135129592) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide
PubChem CID135129592
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC NameN-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide
SMILESC=CCNC(=O)C(=C)COC(C)(C)CC(C)CC(C)CC
InChIInChI=1S/C18H33NO2/c1-8-10-19-17(20)16(5)13-21-18(6,7)12-15(4)11-14(3)9-2/h8,14-15H,1,5,9-13H2,2-4,6-7H3,(H,19,20)
InChIKeyDTZPJGNVHZXYAR-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide?
The IUPAC name of N-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide (CID 135129592) is N-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide.
What is the SMILES notation for N-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide?
The canonical SMILES for N-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide is C=CCNC(=O)C(=C)COC(C)(C)CC(C)CC(C)CC.
What is the InChIKey of N-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide?
The InChIKey is DTZPJGNVHZXYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-8-10-19-17(20)16(5)13-21-18(6,7)12-15(4)11-14(3)9-2/h8,14-15H,1,5,9-13H2,2-4,6-7H3,(H,19,20).
What are the key properties of N-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide?
N-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide has a molecular weight of 295.47 g/mol, XLogP of 4.10, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide is sourced from PubChem (CID 135129592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).