carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one

C191H421N21O45 — CID 159365603

IUPACcarbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one
SMILESC.C.C.C.C.C.C.C.C.CC(C)NCC[N+]1(C)CCOC(=O)C1.CC(C)NCC[N+]1(C)CCOC(=O)CC1.CC(C)NCC[NH+]1CCOC(=O)C1.CC(C)NCC[NH+]1CCOC(=O)CC1.CC(C)OCC(O)C[N+]1(C)CCOC(=O)C1.CC(C)OCC(O)C[N+]1(C)CCOC(=O)CC1.CC(C)OCC(O)C[NH+]1CCOC(=O)C1.CC(C)OCC(O)C[NH+]1CCOC(=O)CC1.CC(C)OCC[N+]1(C)CCOC(=O)C1.CC(C)OCC[NH+]1CCOC(=O)C1.CCC[N+]1(CC(O)COC(C)C)CCOC(=O)C1.CCC[N+]1(CC(O)COC(C)C)CCOC(=O)CC1.CCC[N+]1(CCNC(C)C)CCOC(=O)C1.CCC[N+]1(CCNC(C)C)CCOC(=O)CC1.CCC[N+]1(CCOC(C)C)CCOC(=O)C1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C14H28NO4.C13H27N2O2.C13H26NO4.C12H25N2O2.C12H24NO4.C12H24NO3.C11H23N2O2.C11H22NO4.C11H21NO4.C10H21N2O2.C10H20N2O2.C10H19NO4.C10H20NO3.C9H18N2O2.C9H17NO3.9CH4.15CH3/c1-4-6-15(7-5-14(17)18-9-8-15)10-13(16)11-19-12(2)3;1-4-7-15(9-6-14-12(2)3)8-5-13(16)17-11-10-15;1-4-5-14(6-7-17-13(16)9-14)8-12(15)10-18-11(2)3;1-4-6-14(7-5-13-11(2)3)8-9-16-12(15)10-14;1-10(2)17-9-11(14)8-13(3)5-4-12(15)16-7-6-13;1-4-5-13(6-8-15-11(2)3)7-9-16-12(14)10-13;1-10(2)12-5-7-13(3)6-4-11(14)15-9-8-13;1-9(2)16-8-10(13)6-12(3)4-5-15-11(14)7-12;1-9(2)16-8-10(13)7-12-4-3-11(14)15-6-5-12;1-9(2)11-4-5-12(3)6-7-14-10(13)8-12;1-9(2)11-4-6-12-5-3-10(13)14-8-7-12;1-8(2)15-7-9(12)5-11-3-4-14-10(13)6-11;1-9(2)13-6-4-11(3)5-7-14-10(12)8-11;1-8(2)10-3-4-11-5-6-13-9(12)7-11;1-8(2)12-5-3-10-4-6-13-9(11)7-10;;;;;;;;;;;;;;;;;;;;;;;;/h12-13,16H,4-11H2,1-3H3;12,14H,4-11H2,1-3H3;11-12,15H,4-10H2,1-3H3;11,13H,4-10H2,1-3H3;10-11,14H,4-9H2,1-3H3;11H,4-10H2,1-3H3;10,12H,4-9H2,1-3H3;9-10,13H,4-8H2,1-3H3;9-10,13H,3-8H2,1-2H3;9,11H,4-8H2,1-3H3;9,11H,3-8H2,1-2H3;8-9,12H,3-7H2,1-2H3;9H,4-8H2,1-3H3;8,10H,3-7H2,1-2H3;8H,3-7H2,1-2H3;9*1H4;15*1H3/q8*+1;;+1;;;+1;;;;;;;;;;;;15*-1/p+5
InChIKeyLJBZOYRZSGUBCG-UHFFFAOYSA-S
MW3732.57 g/mol
LogP10.74
Rot. Bonds76

About carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one

carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one (PubChem CID 159365603) has the molecular formula C191H421N21O45 and a molecular weight of 3732.57 g/mol. Its IUPAC name is carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one.

Molecular Properties

Compound Namecarbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one
PubChem CID159365603
Molecular FormulaC191H421N21O45
Molecular Weight3732.57 g/mol
Exact Mass3730.13
IUPAC Namecarbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one
SMILESC.C.C.C.C.C.C.C.C.CC(C)NCC[N+]1(C)CCOC(=O)C1.CC(C)NCC[N+]1(C)CCOC(=O)CC1.CC(C)NCC[NH+]1CCOC(=O)C1.CC(C)NCC[NH+]1CCOC(=O)CC1.CC(C)OCC(O)C[N+]1(C)CCOC(=O)C1.CC(C)OCC(O)C[N+]1(C)CCOC(=O)CC1.CC(C)OCC(O)C[NH+]1CCOC(=O)C1.CC(C)OCC(O)C[NH+]1CCOC(=O)CC1.CC(C)OCC[N+]1(C)CCOC(=O)C1.CC(C)OCC[NH+]1CCOC(=O)C1.CCC[N+]1(CC(O)COC(C)C)CCOC(=O)C1.CCC[N+]1(CC(O)COC(C)C)CCOC(=O)CC1.CCC[N+]1(CCNC(C)C)CCOC(=O)C1.CCC[N+]1(CCNC(C)C)CCOC(=O)CC1.CCC[N+]1(CCOC(C)C)CCOC(=O)C1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C14H28NO4.C13H27N2O2.C13H26NO4.C12H25N2O2.C12H24NO4.C12H24NO3.C11H23N2O2.C11H22NO4.C11H21NO4.C10H21N2O2.C10H20N2O2.C10H19NO4.C10H20NO3.C9H18N2O2.C9H17NO3.9CH4.15CH3/c1-4-6-15(7-5-14(17)18-9-8-15)10-13(16)11-19-12(2)3;1-4-7-15(9-6-14-12(2)3)8-5-13(16)17-11-10-15;1-4-5-14(6-7-17-13(16)9-14)8-12(15)10-18-11(2)3;1-4-6-14(7-5-13-11(2)3)8-9-16-12(15)10-14;1-10(2)17-9-11(14)8-13(3)5-4-12(15)16-7-6-13;1-4-5-13(6-8-15-11(2)3)7-9-16-12(14)10-13;1-10(2)12-5-7-13(3)6-4-11(14)15-9-8-13;1-9(2)16-8-10(13)6-12(3)4-5-15-11(14)7-12;1-9(2)16-8-10(13)7-12-4-3-11(14)15-6-5-12;1-9(2)11-4-5-12(3)6-7-14-10(13)8-12;1-9(2)11-4-6-12-5-3-10(13)14-8-7-12;1-8(2)15-7-9(12)5-11-3-4-14-10(13)6-11;1-9(2)13-6-4-11(3)5-7-14-10(12)8-11;1-8(2)10-3-4-11-5-6-13-9(12)7-11;1-8(2)12-5-3-10-4-6-13-9(11)7-10;;;;;;;;;;;;;;;;;;;;;;;;/h12-13,16H,4-11H2,1-3H3;12,14H,4-11H2,1-3H3;11-12,15H,4-10H2,1-3H3;11,13H,4-10H2,1-3H3;10-11,14H,4-9H2,1-3H3;11H,4-10H2,1-3H3;10,12H,4-9H2,1-3H3;9-10,13H,4-8H2,1-3H3;9-10,13H,3-8H2,1-2H3;9,11H,4-8H2,1-3H3;9,11H,3-8H2,1-2H3;8-9,12H,3-7H2,1-2H3;9H,4-8H2,1-3H3;8,10H,3-7H2,1-2H3;8H,3-7H2,1-2H3;9*1H4;15*1H3/q8*+1;;+1;;;+1;;;;;;;;;;;;15*-1/p+5
InChIKeyLJBZOYRZSGUBCG-UHFFFAOYSA-S
XLogP10.74
TPSA693.33 Ų
H-Bond Donors17
H-Bond Acceptors51
Rotatable Bonds76
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003732.57
LogP ≤ 510.74
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1051

Analyze carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one with MolForge

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Launch Full Analysis

Related Compounds

Carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;methane;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one
CID 157627248
Carbanide;4-(2-hydroxyethyl)-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one
CID 157697625
Carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one
CID 157774926
Carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one
CID 157781938
Carbanide;4-(1-hydroxy-2-propan-2-yloxyethyl)-4-methylmorpholin-4-ium-2-one;4-(1-hydroxy-2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(1-hydroxy-2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one
CID 158344326
Carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one
CID 159810754
Carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;methane;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one
CID 161661246

Frequently Asked Questions

What is the IUPAC name of carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one?
The IUPAC name of carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one (CID 159365603) is carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one.
What is the SMILES notation for carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one?
The canonical SMILES for carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one is C.C.C.C.C.C.C.C.C.CC(C)NCC[N+]1(C)CCOC(=O)C1.CC(C)NCC[N+]1(C)CCOC(=O)CC1.CC(C)NCC[NH+]1CCOC(=O)C1.CC(C)NCC[NH+]1CCOC(=O)CC1.CC(C)OCC(O)C[N+]1(C)CCOC(=O)C1.CC(C)OCC(O)C[N+]1(C)CCOC(=O)CC1.CC(C)OCC(O)C[NH+]1CCOC(=O)C1.CC(C)OCC(O)C[NH+]1CCOC(=O)CC1.CC(C)OCC[N+]1(C)CCOC(=O)C1.CC(C)OCC[NH+]1CCOC(=O)C1.CCC[N+]1(CC(O)COC(C)C)CCOC(=O)C1.CCC[N+]1(CC(O)COC(C)C)CCOC(=O)CC1.CCC[N+]1(CCNC(C)C)CCOC(=O)C1.CCC[N+]1(CCNC(C)C)CCOC(=O)CC1.CCC[N+]1(CCOC(C)C)CCOC(=O)C1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one?
The InChIKey is LJBZOYRZSGUBCG-UHFFFAOYSA-S. The full InChI is InChI=1S/C14H28NO4.C13H27N2O2.C13H26NO4.C12H25N2O2.C12H24NO4.C12H24NO3.C11H23N2O2.C11H22NO4.C11H21NO4.C10H21N2O2.C10H20N2O2.C10H19NO4.C10H20NO3.C9H18N2O2.C9H17NO3.9CH4.15CH3/c1-4-6-15(7-5-14(17)18-9-8-15)10-13(16)11-19-12(2)3;1-4-7-15(9-6-14-12(2)3)8-5-13(16)17-11-10-15;1-4-5-14(6-7-17-13(16)9-14)8-12(15)10-18-11(2)3;1-4-6-14(7-5-13-11(2)3)8-9-16-12(15)10-14;1-10(2)17-9-11(14)8-13(3)5-4-12(15)16-7-6-13;1-4-5-13(6-8-15-11(2)3)7-9-16-12(14)10-13;1-10(2)12-5-7-13(3)6-4-11(14)15-9-8-13;1-9(2)16-8-10(13)6-12(3)4-5-15-11(14)7-12;1-9(2)16-8-10(13)7-12-4-3-11(14)15-6-5-12;1-9(2)11-4-5-12(3)6-7-14-10(13)8-12;1-9(2)11-4-6-12-5-3-10(13)14-8-7-12;1-8(2)15-7-9(12)5-11-3-4-14-10(13)6-11;1-9(2)13-6-4-11(3)5-7-14-10(12)8-11;1-8(2)10-3-4-11-5-6-13-9(12)7-11;1-8(2)12-5-3-10-4-6-13-9(11)7-10;;;;;;;;;;;;;;;;;;;;;;;;/h12-13,16H,4-11H2,1-3H3;12,14H,4-11H2,1-3H3;11-12,15H,4-10H2,1-3H3;11,13H,4-10H2,1-3H3;10-11,14H,4-9H2,1-3H3;11H,4-10H2,1-3H3;10,12H,4-9H2,1-3H3;9-10,13H,4-8H2,1-3H3;9-10,13H,3-8H2,1-2H3;9,11H,4-8H2,1-3H3;9,11H,3-8H2,1-2H3;8-9,12H,3-7H2,1-2H3;9H,4-8H2,1-3H3;8,10H,3-7H2,1-2H3;8H,3-7H2,1-2H3;9*1H4;15*1H3/q8*+1;;+1;;;+1;;;;;;;;;;;;15*-1/p+5.
What are the key properties of carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one?
carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one has a molecular weight of 3732.57 g/mol, XLogP of 10.74, 76 rotatable bonds, 17 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-oxazepan-4-ium-7-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propyl-1,4-oxazepan-4-ium-7-one;methane;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-1,4-oxazepan-4-ium-7-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propyl-1,4-oxazepan-4-ium-7-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one is sourced from PubChem (CID 159365603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).