4-[[(3-acetyl-2,4,6-trimethylphenyl)methyl-methylamino]methyl]-N-methylbenzamide

C22H28N2O2 — CID 37213722

IUPAC4-[[(3-acetyl-2,4,6-trimethylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)Cc2c(C)cc(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C22H28N2O2/c1-14-11-15(2)21(17(4)25)16(3)20(14)13-24(6)12-18-7-9-19(10-8-18)22(26)23-5/h7-11H,12-13H2,1-6H3,(H,23,26)
InChIKeyBYIITFWRXCXBEC-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.81
Rot. Bonds6

About 4-[[(3-acetyl-2,4,6-trimethylphenyl)methyl-methylamino]methyl]-N-methylbenzamide

4-[[(3-acetyl-2,4,6-trimethylphenyl)methyl-methylamino]methyl]-N-methylbenzamide (PubChem CID 37213722) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[[(3-acetyl-2,4,6-trimethylphenyl)methyl-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(3-acetyl-2,4,6-trimethylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
PubChem CID37213722
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-[[(3-acetyl-2,4,6-trimethylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)Cc2c(C)cc(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C22H28N2O2/c1-14-11-15(2)21(17(4)25)16(3)20(14)13-24(6)12-18-7-9-19(10-8-18)22(26)23-5/h7-11H,12-13H2,1-6H3,(H,23,26)
InChIKeyBYIITFWRXCXBEC-UHFFFAOYSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-acetyl-2,4,6-trimethylphenyl)methyl-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(3-acetyl-2,4,6-trimethylphenyl)methyl-methylamino]methyl]-N-methylbenzamide (CID 37213722) is 4-[[(3-acetyl-2,4,6-trimethylphenyl)methyl-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(3-acetyl-2,4,6-trimethylphenyl)methyl-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(3-acetyl-2,4,6-trimethylphenyl)methyl-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)Cc2c(C)cc(C)c(C(C)=O)c2C)cc1.
What is the InChIKey of 4-[[(3-acetyl-2,4,6-trimethylphenyl)methyl-methylamino]methyl]-N-methylbenzamide?
The InChIKey is BYIITFWRXCXBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-14-11-15(2)21(17(4)25)16(3)20(14)13-24(6)12-18-7-9-19(10-8-18)22(26)23-5/h7-11H,12-13H2,1-6H3,(H,23,26).
What are the key properties of 4-[[(3-acetyl-2,4,6-trimethylphenyl)methyl-methylamino]methyl]-N-methylbenzamide?
4-[[(3-acetyl-2,4,6-trimethylphenyl)methyl-methylamino]methyl]-N-methylbenzamide has a molecular weight of 352.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-acetyl-2,4,6-trimethylphenyl)methyl-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 37213722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).