(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide

C13H18N2O2 — CID 41097584

IUPAC(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C13H18N2O2/c1-10-8-15(9-11(2)17-10)13(16)14-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,14,16)/t10-,11-/m0/s1
InChIKeyMGCIRSKGOOGNNJ-QWRGUYRKSA-N
MW234.30 g/mol
LogP2.33
Rot. Bonds1

About (2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide

(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide (PubChem CID 41097584) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
PubChem CID41097584
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C13H18N2O2/c1-10-8-15(9-11(2)17-10)13(16)14-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,14,16)/t10-,11-/m0/s1
InChIKeyMGCIRSKGOOGNNJ-QWRGUYRKSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108504006
2,6-dimethyl-N-(2-phenylphenyl)morpholine-4-carboxamide
CID 23604703
N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 108895345
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
(2R,6R)-2,6-dimethyl-N-(4-propan-2-yloxyphenyl)morpholine-4-carboxamide
CID 94187636
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241
5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 104959655

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide?
The IUPAC name of (2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide (CID 41097584) is (2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide is C[C@H]1CN(C(=O)Nc2ccccc2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide?
The InChIKey is MGCIRSKGOOGNNJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-8-15(9-11(2)17-10)13(16)14-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,14,16)/t10-,11-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide?
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 41097584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).