4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide

C17H25N3O3 — CID 51170483

IUPAC4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCC1CN(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC(C)O1
InChIInChI=1S/C17H25N3O3/c1-12-9-20(10-13(2)23-12)11-16(21)18-15-7-5-14(6-8-15)17(22)19(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,18,21)
InChIKeyLMXKOSQLBLWUNG-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.44
Rot. Bonds4

About 4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide

4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 51170483) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID51170483
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCC1CN(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC(C)O1
InChIInChI=1S/C17H25N3O3/c1-12-9-20(10-13(2)23-12)11-16(21)18-15-7-5-14(6-8-15)17(22)19(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,18,21)
InChIKeyLMXKOSQLBLWUNG-UHFFFAOYSA-N
XLogP1.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-ethylphenyl)acetamide
CID 8899824
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 2378377
2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate
CID 92858710
4-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 46802394
2-(2,6-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 6465799
4-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8904118
4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8900210
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653101
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125723
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
CID 8899247
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide (CID 51170483) is 4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide is CC1CN(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC(C)O1.
What is the InChIKey of 4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is LMXKOSQLBLWUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-9-20(10-13(2)23-12)11-16(21)18-15-7-5-14(6-8-15)17(22)19(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,18,21).
What are the key properties of 4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 319.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 51170483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).