3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide

C17H24N2O3 — CID 86816066

IUPAC3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)N2CC(C)OCC2(C)C)c1
InChIInChI=1S/C17H24N2O3/c1-12-6-5-7-14(8-12)16(21)18-9-15(20)19-10-13(2)22-11-17(19,3)4/h5-8,13H,9-11H2,1-4H3,(H,18,21)
InChIKeyPZPRNDJDDPKMAP-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.75
Rot. Bonds3

About 3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide

3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide (PubChem CID 86816066) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide
PubChem CID86816066
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)N2CC(C)OCC2(C)C)c1
InChIInChI=1S/C17H24N2O3/c1-12-6-5-7-14(8-12)16(21)18-9-15(20)19-10-13(2)22-11-17(19,3)4/h5-8,13H,9-11H2,1-4H3,(H,18,21)
InChIKeyPZPRNDJDDPKMAP-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 81196262
N-[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 94819223
N-[2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 94819222
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide
CID 18108357
3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide
CID 110345478
4-methyl-N-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 46673862
3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 42001425
3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001074
3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 51251955
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide
CID 27661299
[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
CID 110327513
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 16536941

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide (CID 86816066) is 3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide is Cc1cccc(C(=O)NCC(=O)N2CC(C)OCC2(C)C)c1.
What is the InChIKey of 3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide?
The InChIKey is PZPRNDJDDPKMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-6-5-7-14(8-12)16(21)18-9-15(20)19-10-13(2)22-11-17(19,3)4/h5-8,13H,9-11H2,1-4H3,(H,18,21).
What are the key properties of 3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide?
3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide has a molecular weight of 304.39 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide is sourced from PubChem (CID 86816066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).