(2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

C17H22N2O3 — CID 95738078

IUPAC(2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NC2CCCC2)[C@H]1c1ccccc1
InChIInChI=1S/C17H22N2O3/c1-19-14(20)11-22-16(15(19)12-7-3-2-4-8-12)17(21)18-13-9-5-6-10-13/h2-4,7-8,13,15-16H,5-6,9-11H2,1H3,(H,18,21)/t15-,16+/m1/s1
InChIKeySOHCPFHSNJIRPP-CVEARBPZSA-N
MW302.37 g/mol
LogP1.64
Rot. Bonds3

About (2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

(2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 95738078) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID95738078
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NC2CCCC2)[C@H]1c1ccccc1
InChIInChI=1S/C17H22N2O3/c1-19-14(20)11-22-16(15(19)12-7-3-2-4-8-12)17(21)18-13-9-5-6-10-13/h2-4,7-8,13,15-16H,5-6,9-11H2,1H3,(H,18,21)/t15-,16+/m1/s1
InChIKeySOHCPFHSNJIRPP-CVEARBPZSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.64
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
(2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457540
(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
(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)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide
CID 100802698
(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 98768943
(2S,3S)-4-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 124882471
4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide
CID 119039713

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 95738078) is (2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is CN1C(=O)CO[C@H](C(=O)NC2CCCC2)[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is SOHCPFHSNJIRPP-CVEARBPZSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-19-14(20)11-22-16(15(19)12-7-3-2-4-8-12)17(21)18-13-9-5-6-10-13/h2-4,7-8,13,15-16H,5-6,9-11H2,1H3,(H,18,21)/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 95738078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).