(2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide

C17H22N2O4 — CID 100802698

IUPAC(2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H22N2O4/c1-19-14(20)11-23-16(15(19)12-6-3-2-4-7-12)17(21)18-10-13-8-5-9-22-13/h2-4,6-7,13,15-16H,5,8-11H2,1H3,(H,18,21)/t13-,15+,16+/m1/s1
InChIKeyIKDIPZDDUGZAIS-KBMXLJTQSA-N
MW318.37 g/mol
LogP0.88
Rot. Bonds4

About (2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide

(2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide (PubChem CID 100802698) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide
PubChem CID100802698
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H22N2O4/c1-19-14(20)11-23-16(15(19)12-6-3-2-4-7-12)17(21)18-10-13-8-5-9-22-13/h2-4,6-7,13,15-16H,5,8-11H2,1H3,(H,18,21)/t13-,15+,16+/m1/s1
InChIKeyIKDIPZDDUGZAIS-KBMXLJTQSA-N
XLogP0.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide
CID 97457385
(2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738039
4-methyl-5-oxo-3-phenyl-N-(1-phenylethyl)morpholine-2-carboxamide
CID 71687662
(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 97457751
(2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 124882824
(2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 134698510
4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide
CID 119039713
(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 98768943
(2S,3S)-4-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 124862387
(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 100856248
N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 56730602
4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide
CID 91957637

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide (CID 100802698) is (2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide is CN1C(=O)CO[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide?
The InChIKey is IKDIPZDDUGZAIS-KBMXLJTQSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-19-14(20)11-23-16(15(19)12-6-3-2-4-7-12)17(21)18-10-13-8-5-9-22-13/h2-4,6-7,13,15-16H,5,8-11H2,1H3,(H,18,21)/t13-,15+,16+/m1/s1.
What are the key properties of (2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide?
(2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 100802698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).