potassium;4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoic acid;hydride;potassiopotassium

C36H36K19NO5 — CID 172953776

IUPACpotassium;4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoic acid;hydride;potassiopotassium
SMILESO=C(O)c1ccc(C2(C(=O)Cc3ccc(/C(=N/OCc4ccccc4)OCc4ccccc4)cc3)CCCCC2)cc1.[H-].[K+].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K]
InChIInChI=1S/C36H35NO5.19K.H/c38-33(36(22-8-3-9-23-36)32-20-18-31(19-21-32)35(39)40)24-27-14-16-30(17-15-27)34(41-25-28-10-4-1-5-11-28)37-42-26-29-12-6-2-7-13-29;;;;;;;;;;;;;;;;;;;;/h1-2,4-7,10-21H,3,8-9,22-26H2,(H,39,40);;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;+1;-1/b37-34-;;;;;;;;;;;;;;;;;;;;
InChIKeyYJZKXUFUSWPWEP-FSXSHLQMSA-N
MW1305.55 g/mol
LogP-2.24
Rot. Bonds11

About potassium;4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoic acid;hydride;potassiopotassium

potassium;4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoic acid;hydride;potassiopotassium (PubChem CID 172953776) has the molecular formula C36H36K19NO5 and a molecular weight of 1305.55 g/mol. Its IUPAC name is potassium;4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoic acid;hydride;potassiopotassium.

Molecular Properties

Compound Namepotassium;4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoic acid;hydride;potassiopotassium
PubChem CID172953776
Molecular FormulaC36H36K19NO5
Molecular Weight1305.55 g/mol
Exact Mass1302.57
IUPAC Namepotassium;4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoic acid;hydride;potassiopotassium
SMILESO=C(O)c1ccc(C2(C(=O)Cc3ccc(/C(=N/OCc4ccccc4)OCc4ccccc4)cc3)CCCCC2)cc1.[H-].[K+].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K]
InChIInChI=1S/C36H35NO5.19K.H/c38-33(36(22-8-3-9-23-36)32-20-18-31(19-21-32)35(39)40)24-27-14-16-30(17-15-27)34(41-25-28-10-4-1-5-11-28)37-42-26-29-12-6-2-7-13-29;;;;;;;;;;;;;;;;;;;;/h1-2,4-7,10-21H,3,8-9,22-26H2,(H,39,40);;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;+1;-1/b37-34-;;;;;;;;;;;;;;;;;;;;
InChIKeyYJZKXUFUSWPWEP-FSXSHLQMSA-N
XLogP-2.24
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001305.55
LogP ≤ 5-2.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[(E)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl] 1-(4-hydroxyphenyl)cyclohexane-1-carboxylate
CID 58611854
4-[1-(phenylmethoxycarbonylamino)cyclopropyl]benzoic acid
CID 165466082
benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2381331
4-[[(1-phenylcyclohexanecarbonyl)amino]methyl]benzoic acid
CID 134561755
2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone
CID 63410082
2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 65479105
2-phenyl-1-(4-phenyloxan-4-yl)ethanone
CID 63082189
(2R)-3-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 59963898
benzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate
CID 142504088
3-[(Z)-N'-phenylmethoxycarbamimidoyl]benzoic acid
CID 142953452
4-(2-amino-3-oxo-3-phenylmethoxypropanoyl)benzoic acid
CID 174561475
1-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 69040282

Frequently Asked Questions

What is the IUPAC name of potassium;4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoic acid;hydride;potassiopotassium?
The IUPAC name of potassium;4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoic acid;hydride;potassiopotassium (CID 172953776) is potassium;4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoic acid;hydride;potassiopotassium.
What is the SMILES notation for potassium;4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoic acid;hydride;potassiopotassium?
The canonical SMILES for potassium;4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoic acid;hydride;potassiopotassium is O=C(O)c1ccc(C2(C(=O)Cc3ccc(/C(=N/OCc4ccccc4)OCc4ccccc4)cc3)CCCCC2)cc1.[H-].[K+].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].
What is the InChIKey of potassium;4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoic acid;hydride;potassiopotassium?
The InChIKey is YJZKXUFUSWPWEP-FSXSHLQMSA-N. The full InChI is InChI=1S/C36H35NO5.19K.H/c38-33(36(22-8-3-9-23-36)32-20-18-31(19-21-32)35(39)40)24-27-14-16-30(17-15-27)34(41-25-28-10-4-1-5-11-28)37-42-26-29-12-6-2-7-13-29;;;;;;;;;;;;;;;;;;;;/h1-2,4-7,10-21H,3,8-9,22-26H2,(H,39,40);;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;+1;-1/b37-34-;;;;;;;;;;;;;;;;;;;;.
What are the key properties of potassium;4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoic acid;hydride;potassiopotassium?
potassium;4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoic acid;hydride;potassiopotassium has a molecular weight of 1305.55 g/mol, XLogP of -2.24, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-[1-[2-[4-[(Z)-C,N-bis(phenylmethoxy)carbonimidoyl]phenyl]acetyl]cyclohexyl]benzoic acid;hydride;potassiopotassium is sourced from PubChem (CID 172953776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).