(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide

C15H20N2O3 — CID 969916

IUPAC(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C15H20N2O3/c1-10-8-17(9-11(2)20-10)15(19)16-14-6-4-5-13(7-14)12(3)18/h4-7,10-11H,8-9H2,1-3H3,(H,16,19)/t10-,11-/m0/s1
InChIKeyWSUWBMOHEDUZHY-QWRGUYRKSA-N
MW276.34 g/mol
LogP2.53
Rot. Bonds2

About (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide

(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 969916) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
PubChem CID969916
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C15H20N2O3/c1-10-8-17(9-11(2)20-10)15(19)16-14-6-4-5-13(7-14)12(3)18/h4-7,10-11H,8-9H2,1-3H3,(H,16,19)/t10-,11-/m0/s1
InChIKeyWSUWBMOHEDUZHY-QWRGUYRKSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(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)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 8900075
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 95337073
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
N-(3-acetylphenyl)-2,5-dimethylmorpholine-4-carboxamide
CID 61345863
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61192662
N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 108895345

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide (CID 969916) is (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide is CC(=O)c1cccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is WSUWBMOHEDUZHY-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-8-17(9-11(2)20-10)15(19)16-14-6-4-5-13(7-14)12(3)18/h4-7,10-11H,8-9H2,1-3H3,(H,16,19)/t10-,11-/m0/s1.
What are the key properties of (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide?
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 969916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).