(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide

C21H26N2O2 — CID 30126358

IUPAC(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-15-9-11-19(12-10-15)22-21(24)20(18-7-5-4-6-8-18)23-13-16(2)25-17(3)14-23/h4-12,16-17,20H,13-14H2,1-3H3,(H,22,24)/t16-,17+,20-/m0/s1
InChIKeyXFHZKPZIRWGAGR-QKLQHJQFSA-N
MW338.45 g/mol
LogP3.78
Rot. Bonds4

About (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide

(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide (PubChem CID 30126358) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide
PubChem CID30126358
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-15-9-11-19(12-10-15)22-21(24)20(18-7-5-4-6-8-18)23-13-16(2)25-17(3)14-23/h4-12,16-17,20H,13-14H2,1-3H3,(H,22,24)/t16-,17+,20-/m0/s1
InChIKeyXFHZKPZIRWGAGR-QKLQHJQFSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid
CID 4974400
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenylacetamide
CID 92787390
2-(3,5-dimethylpiperidin-1-yl)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 4130031
(3S)-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxamide
CID 9304552
(2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
CID 2657072
(3S,4S)-1-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120648
ethyl (3S)-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate
CID 51724183
1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 52538543
N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide
CID 17459059
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
(2S)-N-(4-methylphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30735407
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 16597867

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide (CID 30126358) is (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide is Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide?
The InChIKey is XFHZKPZIRWGAGR-QKLQHJQFSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-9-11-19(12-10-15)22-21(24)20(18-7-5-4-6-8-18)23-13-16(2)25-17(3)14-23/h4-12,16-17,20H,13-14H2,1-3H3,(H,22,24)/t16-,17+,20-/m0/s1.
What are the key properties of (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide?
(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide has a molecular weight of 338.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 30126358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).