4-tert-butyl-N-(2-phenoxyethyl)benzamide

C19H23NO2 — CID 2244662

IUPAC4-tert-butyl-N-(2-phenoxyethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-19(2,3)16-11-9-15(10-12-16)18(21)20-13-14-22-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,20,21)
InChIKeyLQOQXDPQVORXGJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.79
Rot. Bonds5

About 4-tert-butyl-N-(2-phenoxyethyl)benzamide

4-tert-butyl-N-(2-phenoxyethyl)benzamide (PubChem CID 2244662) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-phenoxyethyl)benzamide
PubChem CID2244662
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-tert-butyl-N-(2-phenoxyethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-19(2,3)16-11-9-15(10-12-16)18(21)20-13-14-22-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,20,21)
InChIKeyLQOQXDPQVORXGJ-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-phenoxyethyl)benzamide (CID 2244662) is 4-tert-butyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-phenoxyethyl)benzamide is CC(C)(C)c1ccc(C(=O)NCCOc2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is LQOQXDPQVORXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-19(2,3)16-11-9-15(10-12-16)18(21)20-13-14-22-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,20,21).
What are the key properties of 4-tert-butyl-N-(2-phenoxyethyl)benzamide?
4-tert-butyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 297.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 2244662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).