2,4,6-trimethyl-N-phenacylbenzamide

C18H19NO2 — CID 822138

IUPAC2,4,6-trimethyl-N-phenacylbenzamide
SMILESCc1cc(C)c(C(=O)NCC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C18H19NO2/c1-12-9-13(2)17(14(3)10-12)18(21)19-11-16(20)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyYVNUXGIQYIFLHD-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.22
Rot. Bonds4

About 2,4,6-trimethyl-N-phenacylbenzamide

2,4,6-trimethyl-N-phenacylbenzamide (PubChem CID 822138) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-phenacylbenzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-phenacylbenzamide
PubChem CID822138
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name2,4,6-trimethyl-N-phenacylbenzamide
SMILESCc1cc(C)c(C(=O)NCC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C18H19NO2/c1-12-9-13(2)17(14(3)10-12)18(21)19-11-16(20)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyYVNUXGIQYIFLHD-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4,6-trimethyl-N-phenacylbenzamide 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 2,4,6-trimethyl-N-phenacylbenzamide?
The IUPAC name of 2,4,6-trimethyl-N-phenacylbenzamide (CID 822138) is 2,4,6-trimethyl-N-phenacylbenzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-phenacylbenzamide?
The canonical SMILES for 2,4,6-trimethyl-N-phenacylbenzamide is Cc1cc(C)c(C(=O)NCC(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-phenacylbenzamide?
The InChIKey is YVNUXGIQYIFLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-9-13(2)17(14(3)10-12)18(21)19-11-16(20)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2,4,6-trimethyl-N-phenacylbenzamide?
2,4,6-trimethyl-N-phenacylbenzamide has a molecular weight of 281.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-phenacylbenzamide is sourced from PubChem (CID 822138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).