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

C18H24N2O4 — CID 97457385

IUPAC(2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide
SMILESCc1ccc([C@@H]2[C@@H](C(=O)NC[C@@H]3CCCO3)OCC(=O)N2C)cc1
InChIInChI=1S/C18H24N2O4/c1-12-5-7-13(8-6-12)16-17(24-11-15(21)20(16)2)18(22)19-10-14-4-3-9-23-14/h5-8,14,16-17H,3-4,9-11H2,1-2H3,(H,19,22)/t14-,16+,17-/m0/s1
InChIKeyQGRGYXDGDLDYJY-UAGQMJEPSA-N
MW332.40 g/mol
LogP1.19
Rot. Bonds4

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

(2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide (PubChem CID 97457385) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide
PubChem CID97457385
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide
SMILESCc1ccc([C@@H]2[C@@H](C(=O)NC[C@@H]3CCCO3)OCC(=O)N2C)cc1
InChIInChI=1S/C18H24N2O4/c1-12-5-7-13(8-6-12)16-17(24-11-15(21)20(16)2)18(22)19-10-14-4-3-9-23-14/h5-8,14,16-17H,3-4,9-11H2,1-2H3,(H,19,22)/t14-,16+,17-/m0/s1
InChIKeyQGRGYXDGDLDYJY-UAGQMJEPSA-N
XLogP1.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide
CID 100802698
(2S,3S)-N-butyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457343
(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 97457751
(2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide
CID 97457442
(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 100856248
(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457319
(2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 134698510
1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4047575
(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 40502213
(2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457517
N-(cyclopropylmethyl)-N,4-dimethyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 110280766
3-(4-fluorophenyl)-4-methyl-N-(2-methylpropyl)-5-oxomorpholine-2-carboxamide
CID 75361012

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide (CID 97457385) is (2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide is Cc1ccc([C@@H]2[C@@H](C(=O)NC[C@@H]3CCCO3)OCC(=O)N2C)cc1.
What is the InChIKey of (2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide?
The InChIKey is QGRGYXDGDLDYJY-UAGQMJEPSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12-5-7-13(8-6-12)16-17(24-11-15(21)20(16)2)18(22)19-10-14-4-3-9-23-14/h5-8,14,16-17H,3-4,9-11H2,1-2H3,(H,19,22)/t14-,16+,17-/m0/s1.
What are the key properties of (2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide?
(2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-methyl-3-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 97457385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).