4-tert-butyl-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide

C19H23NO2 — CID 127116223

IUPAC4-tert-butyl-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc(CO)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-19(2,3)17-10-8-16(9-11-17)18(22)20-12-14-4-6-15(13-21)7-5-14/h4-11,21H,12-13H2,1-3H3,(H,20,22)
InChIKeyZVOBXMNEZLNFJC-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.41
Rot. Bonds4

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

4-tert-butyl-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 127116223) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID127116223
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-tert-butyl-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc(CO)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-19(2,3)17-10-8-16(9-11-17)18(22)20-12-14-4-6-15(13-21)7-5-14/h4-11,21H,12-13H2,1-3H3,(H,20,22)
InChIKeyZVOBXMNEZLNFJC-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide (CID 127116223) is 4-tert-butyl-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCc2ccc(CO)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is ZVOBXMNEZLNFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-19(2,3)17-10-8-16(9-11-17)18(22)20-12-14-4-6-15(13-21)7-5-14/h4-11,21H,12-13H2,1-3H3,(H,20,22).
What are the key properties of 4-tert-butyl-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
4-tert-butyl-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 297.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 127116223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).