N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide

C22H26N2O5 — CID 134705614

IUPACN-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(OCC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C22H26N2O5/c1-2-20(26)23-17-8-10-18(11-9-17)29-15-21(27)24-12-13-28-19(14-25)22(24)16-6-4-3-5-7-16/h3-11,19,22,25H,2,12-15H2,1H3,(H,23,26)/t19-,22-/m1/s1
InChIKeyGQZHYOHXEWCOLI-DENIHFKCSA-N
MW398.46 g/mol
LogP2.37
Rot. Bonds7

About N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide

N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide (PubChem CID 134705614) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide
PubChem CID134705614
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(OCC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C22H26N2O5/c1-2-20(26)23-17-8-10-18(11-9-17)29-15-21(27)24-12-13-28-19(14-25)22(24)16-6-4-3-5-7-16/h3-11,19,22,25H,2,12-15H2,1H3,(H,23,26)/t19-,22-/m1/s1
InChIKeyGQZHYOHXEWCOLI-DENIHFKCSA-N
XLogP2.37
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 134698892
N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide
CID 134695894
3-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]-1,1-dimethylurea
CID 134714041
2-[cyclopentyl(methyl)amino]-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone
CID 134704253
1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 134708065
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 134704146
1-[4-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one
CID 134704218
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone
CID 134714534
1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one
CID 134712444
2-ethoxy-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone
CID 155496818
N-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]phenyl]acetamide
CID 51293775
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 134713318

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide?
The IUPAC name of N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide (CID 134705614) is N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide?
The canonical SMILES for N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide is CCC(=O)Nc1ccc(OCC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide?
The InChIKey is GQZHYOHXEWCOLI-DENIHFKCSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-2-20(26)23-17-8-10-18(11-9-17)29-15-21(27)24-12-13-28-19(14-25)22(24)16-6-4-3-5-7-16/h3-11,19,22,25H,2,12-15H2,1H3,(H,23,26)/t19-,22-/m1/s1.
What are the key properties of N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide?
N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide has a molecular weight of 398.46 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide is sourced from PubChem (CID 134705614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).