N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide

C21H27N3O2 — CID 9125843

IUPACN-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NCCc2ccccc2C)cc1
InChIInChI=1S/C21H27N3O2/c1-16-6-4-5-7-18(16)12-13-23-20(25)15-24(3)14-17-8-10-19(11-9-17)21(26)22-2/h4-11H,12-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyGCLZRGKLZNCDJI-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.15
Rot. Bonds8

About N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide (PubChem CID 9125843) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide
PubChem CID9125843
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NCCc2ccccc2C)cc1
InChIInChI=1S/C21H27N3O2/c1-16-6-4-5-7-18(16)12-13-23-20(25)15-24(3)14-17-8-10-19(11-9-17)21(26)22-2/h4-11H,12-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyGCLZRGKLZNCDJI-UHFFFAOYSA-N
XLogP2.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003189
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 42540138
4-[[[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125724
N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide
CID 9003185
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26510312
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37215840
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 8539857
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 8694826
N-methyl-4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9003162
N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 71063959

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide (CID 9125843) is N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)CC(=O)NCCc2ccccc2C)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is GCLZRGKLZNCDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-6-4-5-7-18(16)12-13-23-20(25)15-24(3)14-17-8-10-19(11-9-17)21(26)22-2/h4-11H,12-15H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 9125843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).