(2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide

C18H23FN2O3 — CID 97457540

IUPAC(2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@@H](C(=O)NC2CCCCC2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C18H23FN2O3/c1-21-15(22)11-24-17(16(21)12-7-9-13(19)10-8-12)18(23)20-14-5-3-2-4-6-14/h7-10,14,16-17H,2-6,11H2,1H3,(H,20,23)/t16-,17+/m0/s1
InChIKeyVWDAETNZTAAJTD-DLBZAZTESA-N
MW334.39 g/mol
LogP2.17
Rot. Bonds3

About (2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide

(2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide (PubChem CID 97457540) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is (2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
PubChem CID97457540
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name(2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@@H](C(=O)NC2CCCCC2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C18H23FN2O3/c1-21-15(22)11-24-17(16(21)12-7-9-13(19)10-8-12)18(23)20-14-5-3-2-4-6-14/h7-10,14,16-17H,2-6,11H2,1H3,(H,20,23)/t16-,17+/m0/s1
InChIKeyVWDAETNZTAAJTD-DLBZAZTESA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739605
(2S,3R)-3-(4-chlorophenyl)-N-cyclopentyl-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739604
(2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738078
(2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739933
(2R,3R)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739930
(2R,3R)-N-cyclohexyl-3-(2-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739795
N-cyclopentyl-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538273
3-(4-fluorophenyl)-4-methyl-N-(2-methylpropyl)-5-oxomorpholine-2-carboxamide
CID 75361012
(2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457517
(5S,6R)-6-(azepane-1-carbonyl)-5-(4-fluorophenyl)-4-methylmorpholin-3-one
CID 97457639
(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457319
(2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide
CID 97457525

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide (CID 97457540) is (2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide is CN1C(=O)CO[C@@H](C(=O)NC2CCCCC2)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The InChIKey is VWDAETNZTAAJTD-DLBZAZTESA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-21-15(22)11-24-17(16(21)12-7-9-13(19)10-8-12)18(23)20-14-5-3-2-4-6-14/h7-10,14,16-17H,2-6,11H2,1H3,(H,20,23)/t16-,17+/m0/s1.
What are the key properties of (2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
(2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide has a molecular weight of 334.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 97457540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).