MXenes　are　two-dimensional　(2D)　material　highly　attractive　to　the　scientific　community　because　of　its　unique　properties　and　diverse　potential　applications.　To　explore　further　interesting　and　fascinating　properties　such　as　structural　stability　,　electronic　and　thermodynamic　properties　through　a　theoretical　investigation　of　2D　Mo-based　MXene　Mo　n　+1　X　n　(X　=　C,　N　and　n　=　1,　2,　3)　with　C　ad　N　compositions　and　various　atomic　layers　(n)　using　the　density　functional　theory.　Here,　the　effect　of　varying　numbers　of　(n)　MXene　with　C　and　N　compositions　is　studied　and　investigated　on　the　electronic,　thermodynamic,　and　structural　stability　of　2D　Mo-based　MXene　Mon+1Xn.　The　result　reveals　that　the　number　of　(n)　highlights　the　critical　influence　on　structure　stability.　Moreover,　the　electronic　properties　indicate　that　2D　Mo-based　MXene　Mo　n　+1　X　n　are　metallic,　with　a　notable　improved　total　density　of　state　(TDOS)　increase　in　the　number　of　(n).　Moreover,　the　thermodynamic　stabilities　of　2D　Mo-based　MXene　Mo　n　+1　X　n　were　analyzed　and　examined　using　the　Gibbs2　code.　The　findings　indicate　Mo4N3　exhibits　greater　stability　than　the　chosen　2D　Mo-based　MXene　Mo　n　+1　X　n　compound.　The　structural,　electronic　and　thermodynamic　properties　of　2D　Mo-based　MXene　Mo　n　+1　X　n　provide　insight　into　their　many　industrial　applications,　such　as　energy　storage　devices,　catalysis　and　electromagnetic　interference　shielding.