(2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide

C21H24N2O3 — CID 97457442

IUPAC(2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide
SMILESCc1ccc([C@H]2[C@@H](C(=O)NCCc3ccccc3)OCC(=O)N2C)cc1
InChIInChI=1S/C21H24N2O3/c1-15-8-10-17(11-9-15)19-20(26-14-18(24)23(19)2)21(25)22-13-12-16-6-4-3-5-7-16/h3-11,19-20H,12-14H2,1-2H3,(H,22,25)/t19-,20-/m0/s1
InChIKeyCKBHCDKLCKJEBP-PMACEKPBSA-N
MW352.43 g/mol
LogP2.25
Rot. Bonds5

About (2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide

(2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide (PubChem CID 97457442) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide
PubChem CID97457442
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide
SMILESCc1ccc([C@H]2[C@@H](C(=O)NCCc3ccccc3)OCC(=O)N2C)cc1
InChIInChI=1S/C21H24N2O3/c1-15-8-10-17(11-9-15)19-20(26-14-18(24)23(19)2)21(25)22-13-12-16-6-4-3-5-7-16/h3-11,19-20H,12-14H2,1-2H3,(H,22,25)/t19-,20-/m0/s1
InChIKeyCKBHCDKLCKJEBP-PMACEKPBSA-N
XLogP2.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide?
The IUPAC name of (2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide (CID 97457442) is (2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide?
The canonical SMILES for (2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide is Cc1ccc([C@H]2[C@@H](C(=O)NCCc3ccccc3)OCC(=O)N2C)cc1.
What is the InChIKey of (2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide?
The InChIKey is CKBHCDKLCKJEBP-PMACEKPBSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-8-10-17(11-9-15)19-20(26-14-18(24)23(19)2)21(25)22-13-12-16-6-4-3-5-7-16/h3-11,19-20H,12-14H2,1-2H3,(H,22,25)/t19-,20-/m0/s1.
What are the key properties of (2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide?
(2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide is sourced from PubChem (CID 97457442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).