(2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide

C18H24N2O3 — CID 134698510

IUPAC(2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)NCC2CCC2)OCC(=O)N1C
InChIInChI=1S/C18H24N2O3/c1-12-6-3-4-9-14(12)16-17(23-11-15(21)20(16)2)18(22)19-10-13-7-5-8-13/h3-4,6,9,13,16-17H,5,7-8,10-11H2,1-2H3,(H,19,22)/t16-,17+/m1/s1
InChIKeyOFWTVOPTGUMBDE-SJORKVTESA-N
MW316.40 g/mol
LogP1.81
Rot. Bonds4

About (2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide

(2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide (PubChem CID 134698510) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
PubChem CID134698510
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)NCC2CCC2)OCC(=O)N1C
InChIInChI=1S/C18H24N2O3/c1-12-6-3-4-9-14(12)16-17(23-11-15(21)20(16)2)18(22)19-10-13-7-5-8-13/h3-4,6,9,13,16-17H,5,7-8,10-11H2,1-2H3,(H,19,22)/t16-,17+/m1/s1
InChIKeyOFWTVOPTGUMBDE-SJORKVTESA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738039
(2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide
CID 134701148
(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
CID 137281032
(2S,3R)-N-(1-cyclopentylcyclopropyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 134713673
(2S,3R)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 156586890
(2S,3R)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 134709417
(2S,3S)-4-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylmorpholine-2-carboxamide
CID 100802698
(5R,6S)-6-(azepane-1-carbonyl)-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 134710331
(2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 134701120
formic acid;(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[2-(2H-tetrazol-5-yl)ethyl]morpholine-2-carboxamide
CID 163340611
(2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide
CID 134701506
methyl (1S,5R)-3-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 162633244

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide (CID 134698510) is (2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide is Cc1ccccc1[C@@H]1[C@@H](C(=O)NCC2CCC2)OCC(=O)N1C.
What is the InChIKey of (2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The InChIKey is OFWTVOPTGUMBDE-SJORKVTESA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-6-3-4-9-14(12)16-17(23-11-15(21)20(16)2)18(22)19-10-13-7-5-8-13/h3-4,6,9,13,16-17H,5,7-8,10-11H2,1-2H3,(H,19,22)/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
(2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 134698510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).