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

C20H25N3O2 — CID 42540138

IUPACN-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-15-4-6-16(7-5-15)12-22-19(24)14-23(3)13-17-8-10-18(11-9-17)20(25)21-2/h4-11H,12-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyNAOXSNSXXVTRMC-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.10
Rot. Bonds7

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

N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide (PubChem CID 42540138) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
PubChem CID42540138
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-15-4-6-16(7-5-15)12-22-19(24)14-23(3)13-17-8-10-18(11-9-17)20(25)21-2/h4-11H,12-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyNAOXSNSXXVTRMC-UHFFFAOYSA-N
XLogP2.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9003162
4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37215840
4-[[[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123111
3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60988089
N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide
CID 9125843
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide
CID 9125001
4-[[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003189
N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide
CID 9123723
N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512957
4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37212891
4-[[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125960
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide (CID 42540138) is N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)CC(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is NAOXSNSXXVTRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-4-6-16(7-5-15)12-22-19(24)14-23(3)13-17-8-10-18(11-9-17)20(25)21-2/h4-11H,12-14H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.10, 7 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-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 42540138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).