3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide

C17H25N3O3 — CID 47010706

IUPAC3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN2CC(C)OC(C)C2)c1
InChIInChI=1S/C17H25N3O3/c1-4-18-17(22)14-6-5-7-15(8-14)19-16(21)11-20-9-12(2)23-13(3)10-20/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyBTGTXGQBTHFHEW-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.48
Rot. Bonds5

About 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide

3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide (PubChem CID 47010706) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide
PubChem CID47010706
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN2CC(C)OC(C)C2)c1
InChIInChI=1S/C17H25N3O3/c1-4-18-17(22)14-6-5-7-15(8-14)19-16(21)11-20-9-12(2)23-13(3)10-20/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyBTGTXGQBTHFHEW-UHFFFAOYSA-N
XLogP1.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide
CID 7810409
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899897
3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide
CID 8539004
N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide
CID 60512579
2-(2,6-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 6465799
N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437
N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899342
3-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-N-ethylbenzamide
CID 8617691
dimethyl 5-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 8898990
3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide
CID 166256523
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-ethylphenyl)acetamide
CID 8899824
3-acetamido-N-ethylbenzamide
CID 17230670

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide (CID 47010706) is 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CN2CC(C)OC(C)C2)c1.
What is the InChIKey of 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide?
The InChIKey is BTGTXGQBTHFHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-18-17(22)14-6-5-7-15(8-14)19-16(21)11-20-9-12(2)23-13(3)10-20/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide?
3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide has a molecular weight of 319.41 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 47010706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).