(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide

C20H21ClN2O4 — CID 157017806

IUPAC(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide
SMILESO=C1CO[C@H](C(=O)NCCOCc2ccccc2)[C@@H](c2ccccc2Cl)N1
InChIInChI=1S/C20H21ClN2O4/c21-16-9-5-4-8-15(16)18-19(27-13-17(24)23-18)20(25)22-10-11-26-12-14-6-2-1-3-7-14/h1-9,18-19H,10-13H2,(H,22,25)(H,23,24)/t18-,19+/m1/s1
InChIKeyOEXQTXNWHBJKIR-MOPGFXCFSA-N
MW388.85 g/mol
LogP2.23
Rot. Bonds7

About (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide

(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide (PubChem CID 157017806) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide
PubChem CID157017806
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide
SMILESO=C1CO[C@H](C(=O)NCCOCc2ccccc2)[C@@H](c2ccccc2Cl)N1
InChIInChI=1S/C20H21ClN2O4/c21-16-9-5-4-8-15(16)18-19(27-13-17(24)23-18)20(25)22-10-11-26-12-14-6-2-1-3-7-14/h1-9,18-19H,10-13H2,(H,22,25)(H,23,24)/t18-,19+/m1/s1
InChIKeyOEXQTXNWHBJKIR-MOPGFXCFSA-N
XLogP2.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide?
The IUPAC name of (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide (CID 157017806) is (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide is O=C1CO[C@H](C(=O)NCCOCc2ccccc2)[C@@H](c2ccccc2Cl)N1.
What is the InChIKey of (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide?
The InChIKey is OEXQTXNWHBJKIR-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c21-16-9-5-4-8-15(16)18-19(27-13-17(24)23-18)20(25)22-10-11-26-12-14-6-2-1-3-7-14/h1-9,18-19H,10-13H2,(H,22,25)(H,23,24)/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide?
(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide has a molecular weight of 388.85 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide is sourced from PubChem (CID 157017806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).