4-tert-butyl-N-[(4-methoxyphenyl)methyl]benzamide

C19H23NO2 — CID 5220350

IUPAC4-tert-butyl-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-19(2,3)16-9-7-15(8-10-16)18(21)20-13-14-5-11-17(22-4)12-6-14/h5-12H,13H2,1-4H3,(H,20,21)
InChIKeyDAQROKUPQZDWMJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.92
Rot. Bonds4

About 4-tert-butyl-N-[(4-methoxyphenyl)methyl]benzamide

4-tert-butyl-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 5220350) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID5220350
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-tert-butyl-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-19(2,3)16-9-7-15(8-10-16)18(21)20-13-14-5-11-17(22-4)12-6-14/h5-12H,13H2,1-4H3,(H,20,21)
InChIKeyDAQROKUPQZDWMJ-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(4-methoxyphenyl)methyl]benzamide (CID 5220350) is 4-tert-butyl-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is DAQROKUPQZDWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-19(2,3)16-9-7-15(8-10-16)18(21)20-13-14-5-11-17(22-4)12-6-14/h5-12H,13H2,1-4H3,(H,20,21).
What are the key properties of 4-tert-butyl-N-[(4-methoxyphenyl)methyl]benzamide?
4-tert-butyl-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 297.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 5220350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).