N-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide

C15H19NO2 — CID 56663073

IUPACN-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide
SMILESCC(C)(C)NC(=O)C1(/C=C/c2ccccc2)CO1
InChIInChI=1S/C15H19NO2/c1-14(2,3)16-13(17)15(11-18-15)10-9-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,16,17)/b10-9+
InChIKeyWGSHTUPXXLCYMB-MDZDMXLPSA-N
MW245.32 g/mol
LogP2.38
Rot. Bonds3

About N-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide

N-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide (PubChem CID 56663073) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide
PubChem CID56663073
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide
SMILESCC(C)(C)NC(=O)C1(/C=C/c2ccccc2)CO1
InChIInChI=1S/C15H19NO2/c1-14(2,3)16-13(17)15(11-18-15)10-9-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,16,17)/b10-9+
InChIKeyWGSHTUPXXLCYMB-MDZDMXLPSA-N
XLogP2.38
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide?
The IUPAC name of N-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide (CID 56663073) is N-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide?
The canonical SMILES for N-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide is CC(C)(C)NC(=O)C1(/C=C/c2ccccc2)CO1.
What is the InChIKey of N-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide?
The InChIKey is WGSHTUPXXLCYMB-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H19NO2/c1-14(2,3)16-13(17)15(11-18-15)10-9-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,16,17)/b10-9+.
What are the key properties of N-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide?
N-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(E)-2-phenylethenyl]oxirane-2-carboxamide is sourced from PubChem (CID 56663073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).