2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide

C20H25N3O2 — CID 96516214

IUPAC2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESC[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1CC(=O)NCc1ccccn1
InChIInChI=1S/C20H25N3O2/c1-15-14-25-20(17-8-4-3-5-9-17)16(2)23(15)13-19(24)22-12-18-10-6-7-11-21-18/h3-11,15-16,20H,12-14H2,1-2H3,(H,22,24)/t15-,16+,20+/m1/s1
InChIKeyVGVDWMMJVQGKSQ-GUXCAODWSA-N
MW339.44 g/mol
LogP2.55
Rot. Bonds5

About 2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 96516214) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID96516214
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESC[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1CC(=O)NCc1ccccn1
InChIInChI=1S/C20H25N3O2/c1-15-14-25-20(17-8-4-3-5-9-17)16(2)23(15)13-19(24)22-12-18-10-6-7-11-21-18/h3-11,15-16,20H,12-14H2,1-2H3,(H,22,24)/t15-,16+,20+/m1/s1
InChIKeyVGVDWMMJVQGKSQ-GUXCAODWSA-N
XLogP2.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 35762711
2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
(3S,4S)-1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72870323
2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 97214559
2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 72894294
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
2-[(3S,3aS,6aS)-5-methylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 97485904
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74242130
2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-(pyridin-2-ylmethyl)acetamide
CID 75489429
3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 102234841

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 96516214) is 2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide is C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1CC(=O)NCc1ccccn1.
What is the InChIKey of 2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is VGVDWMMJVQGKSQ-GUXCAODWSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-14-25-20(17-8-4-3-5-9-17)16(2)23(15)13-19(24)22-12-18-10-6-7-11-21-18/h3-11,15-16,20H,12-14H2,1-2H3,(H,22,24)/t15-,16+,20+/m1/s1.
What are the key properties of 2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 96516214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).