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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Related Compounds

4-[[2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide
CID 46632740
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
N-methyl-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]benzamide
CID 37213866
4-acetyl-N,3,5-trimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 8965234
methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate
CID 37215555
4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37215840
4-[[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123087
4-[[[3-(carbamoylamino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
CID 42540850
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 42540138
N-methyl-4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9003162
4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide
CID 134058321
4-[[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9124829

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).