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

C60H130N7O16+3 — CID 158344326

IUPACcarbanide;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
SMILESC.C.C.CC(C)NCC[N+]1(C)CCOC(=O)CC1.CC(C)OCC(O)[N+]1(C)CCOC(=O)C1.CC(C)OCC(O)[NH+]1CCOC(=O)C1.CCC[N+]1(C(O)COC(C)C)CCOC(=O)C1.CCC[N+]1(CCNC(C)C)CCOC(=O)CC1.[CH3-].[CH3-]
InChIInChI=1S/C13H27N2O2.C12H24NO4.C11H23N2O2.C10H20NO4.C9H17NO4.3CH4.2CH3/c1-4-7-15(9-6-14-12(2)3)8-5-13(16)17-11-10-15;1-4-5-13(6-7-16-12(15)8-13)11(14)9-17-10(2)3;1-10(2)12-5-7-13(3)6-4-11(14)15-9-8-13;1-8(2)15-7-9(12)11(3)4-5-14-10(13)6-11;1-7(2)14-6-8(11)10-3-4-13-9(12)5-10;;;;;/h12,14H,4-11H2,1-3H3;10-11,14H,4-9H2,1-3H3;10,12H,4-9H2,1-3H3;8-9,12H,4-7H2,1-3H3;7-8,11H,3-6H2,1-2H3;3*1H4;2*1H3/q4*+1;;;;;2*-1/p+1
InChIKeyGRNUPSXJBNAEEO-UHFFFAOYSA-O
MW1205.73 g/mol
LogP2.76
Rot. Bonds24

About 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

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 (PubChem CID 158344326) has the molecular formula C60H130N7O16+3 and a molecular weight of 1205.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecarbanide;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
PubChem CID158344326
Molecular FormulaC60H130N7O16+3
Molecular Weight1205.73 g/mol
Exact Mass1204.96
IUPAC Namecarbanide;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
SMILESC.C.C.CC(C)NCC[N+]1(C)CCOC(=O)CC1.CC(C)OCC(O)[N+]1(C)CCOC(=O)C1.CC(C)OCC(O)[NH+]1CCOC(=O)C1.CCC[N+]1(C(O)COC(C)C)CCOC(=O)C1.CCC[N+]1(CCNC(C)C)CCOC(=O)CC1.[CH3-].[CH3-]
InChIInChI=1S/C13H27N2O2.C12H24NO4.C11H23N2O2.C10H20NO4.C9H17NO4.3CH4.2CH3/c1-4-7-15(9-6-14-12(2)3)8-5-13(16)17-11-10-15;1-4-5-13(6-7-16-12(15)8-13)11(14)9-17-10(2)3;1-10(2)12-5-7-13(3)6-4-11(14)15-9-8-13;1-8(2)15-7-9(12)11(3)4-5-14-10(13)6-11;1-7(2)14-6-8(11)10-3-4-13-9(12)5-10;;;;;/h12,14H,4-11H2,1-3H3;10-11,14H,4-9H2,1-3H3;10,12H,4-9H2,1-3H3;8-9,12H,4-7H2,1-3H3;7-8,11H,3-6H2,1-2H3;3*1H4;2*1H3/q4*+1;;;;;2*-1/p+1
InChIKeyGRNUPSXJBNAEEO-UHFFFAOYSA-O
XLogP2.76
TPSA248.38 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001205.73
LogP ≤ 52.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.CC(C)NCC[N+]1(C)CCOC(=O)CC1.CC(C)OCC(O)[N+]1(C)CCOC(=O)C1.CC(C)OCC(O)[NH+]1CCOC(=O)C1.CCC[N+]1(C(O)COC(C)C)CCOC(=O)C1.CCC[N+]1(CCNC(C)C)CCOC(=O)CC1.[CH3-].[CH3-].
What is the InChIKey of 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?
The InChIKey is GRNUPSXJBNAEEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H27N2O2.C12H24NO4.C11H23N2O2.C10H20NO4.C9H17NO4.3CH4.2CH3/c1-4-7-15(9-6-14-12(2)3)8-5-13(16)17-11-10-15;1-4-5-13(6-7-16-12(15)8-13)11(14)9-17-10(2)3;1-10(2)12-5-7-13(3)6-4-11(14)15-9-8-13;1-8(2)15-7-9(12)11(3)4-5-14-10(13)6-11;1-7(2)14-6-8(11)10-3-4-13-9(12)5-10;;;;;/h12,14H,4-11H2,1-3H3;10-11,14H,4-9H2,1-3H3;10,12H,4-9H2,1-3H3;8-9,12H,4-7H2,1-3H3;7-8,11H,3-6H2,1-2H3;3*1H4;2*1H3/q4*+1;;;;;2*-1/p+1.
What are the key properties of 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?
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 has a molecular weight of 1205.73 g/mol, XLogP of 2.76, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158344326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).