4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide

C19H29N3O3 — CID 51227491

IUPAC4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(C)C(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H29N3O3/c1-13-10-22(11-14(2)25-13)19(24)15(3)21(5)12-16-6-8-17(9-7-16)18(23)20-4/h6-9,13-15H,10-12H2,1-5H3,(H,20,23)
InChIKeyMMACLQWODSISME-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.50
Rot. Bonds5

About 4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide

4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 51227491) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide
PubChem CID51227491
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(C)C(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H29N3O3/c1-13-10-22(11-14(2)25-13)19(24)15(3)21(5)12-16-6-8-17(9-7-16)18(23)20-4/h6-9,13-15H,10-12H2,1-5H3,(H,20,23)
InChIKeyMMACLQWODSISME-UHFFFAOYSA-N
XLogP1.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 78786388
ethyl 1-[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoyl]piperidine-3-carboxylate
CID 55541761
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003332
4-[[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 51227478
N-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide
CID 95625981
4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 95904145
N-methyl-4-[[methyl-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]methyl]benzamide
CID 9125046
2-[methyl-[(4-methylphenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 78786460
4-[(E)-3-(2,6-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134034300
N-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzamide
CID 112684258
2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78786454
N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 56549313

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide (CID 51227491) is 4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)C(C)C(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is MMACLQWODSISME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-10-22(11-14(2)25-13)19(24)15(3)21(5)12-16-6-8-17(9-7-16)18(23)20-4/h6-9,13-15H,10-12H2,1-5H3,(H,20,23).
What are the key properties of 4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide?
4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 347.46 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 51227491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).