N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide

C17H24N2O3 — CID 18108357

IUPACN-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C17H24N2O3/c1-12-5-4-6-15(9-12)17(21)18-8-7-16(20)19-10-13(2)22-14(3)11-19/h4-6,9,13-14H,7-8,10-11H2,1-3H3,(H,18,21)
InChIKeyNSDKFQVPZKGKED-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.75
Rot. Bonds4

About N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide

N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide (PubChem CID 18108357) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide
PubChem CID18108357
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C17H24N2O3/c1-12-5-4-6-15(9-12)17(21)18-8-7-16(20)19-10-13(2)22-14(3)11-19/h4-6,9,13-14H,7-8,10-11H2,1-3H3,(H,18,21)
InChIKeyNSDKFQVPZKGKED-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 17018957
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709214
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide
CID 17191483
2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
CID 18135466
3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 35814912
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 46652197
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide
CID 51160837
ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate
CID 30283843
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide
CID 94800993
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 2606152
N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52514146

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide?
The IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide (CID 18108357) is N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCC(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide?
The InChIKey is NSDKFQVPZKGKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-5-4-6-15(9-12)17(21)18-8-7-16(20)19-10-13(2)22-14(3)11-19/h4-6,9,13-14H,7-8,10-11H2,1-3H3,(H,18,21).
What are the key properties of N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide?
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide has a molecular weight of 304.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide is sourced from PubChem (CID 18108357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).