2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide

C13H18N2O2 — CID 68507649

IUPAC2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide
SMILESC[C@H]1CN(c2ccccc2C(N)=O)C[C@H](C)O1
InChIInChI=1S/C13H18N2O2/c1-9-7-15(8-10(2)17-9)12-6-4-3-5-11(12)13(14)16/h3-6,9-10H,7-8H2,1-2H3,(H2,14,16)/t9-,10-/m0/s1
InChIKeyKJJAMMLDLKLPKU-UWVGGRQHSA-N
MW234.30 g/mol
LogP1.40
Rot. Bonds2

About 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide

2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide (PubChem CID 68507649) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide.

Molecular Properties

Compound Name2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide
PubChem CID68507649
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide
SMILESC[C@H]1CN(c2ccccc2C(N)=O)C[C@H](C)O1
InChIInChI=1S/C13H18N2O2/c1-9-7-15(8-10(2)17-9)12-6-4-3-5-11(12)13(14)16/h3-6,9-10H,7-8H2,1-2H3,(H2,14,16)/t9-,10-/m0/s1
InChIKeyKJJAMMLDLKLPKU-UWVGGRQHSA-N
XLogP1.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43199936
3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide
CID 112577647
2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide
CID 176898478
2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzamide
CID 7283920
2-(2,6-dimethylmorpholin-4-yl)-6-fluorobenzenecarbothioamide
CID 79513236
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorobenzenecarbothioamide
CID 104958779
5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzenecarbothioamide
CID 104982766
(2S,6R)-4-(2-cyclopropylphenyl)-2,6-dimethylmorpholine
CID 126517774
2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide
CID 55167908
(2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine
CID 7210197
1-(2-carbamoylphenyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369504
(E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide
CID 60533436

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide?
The IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide (CID 68507649) is 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide.
What is the SMILES notation for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide?
The canonical SMILES for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide is C[C@H]1CN(c2ccccc2C(N)=O)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide?
The InChIKey is KJJAMMLDLKLPKU-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-7-15(8-10(2)17-9)12-6-4-3-5-11(12)13(14)16/h3-6,9-10H,7-8H2,1-2H3,(H2,14,16)/t9-,10-/m0/s1.
What are the key properties of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide?
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide is sourced from PubChem (CID 68507649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).