diethyl-[2-[(2-methylphenyl)carbamoyloxy]cyclohexyl]azanium chloride

C18H29ClN2O2 — CID 28275

IUPACdiethyl-[2-[(2-methylphenyl)carbamoyloxy]cyclohexyl]azanium chloride
SMILESCC[NH+](CC)C1CCCCC1OC(=O)Nc1ccccc1C.[Cl-]
InChIInChI=1S/C18H28N2O2.ClH/c1-4-20(5-2)16-12-8-9-13-17(16)22-18(21)19-15-11-7-6-10-14(15)3;/h6-7,10-11,16-17H,4-5,8-9,12-13H2,1-3H3,(H,19,21);1H
InChIKeyWYGAZVGAZYSQFJ-UHFFFAOYSA-N
MW340.89 g/mol
LogP-0.22
Rot. Bonds5

About diethyl-[2-[(2-methylphenyl)carbamoyloxy]cyclohexyl]azanium chloride

diethyl-[2-[(2-methylphenyl)carbamoyloxy]cyclohexyl]azanium chloride (PubChem CID 28275) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.89 g/mol. Its IUPAC name is diethyl-[2-[(2-methylphenyl)carbamoyloxy]cyclohexyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[2-[(2-methylphenyl)carbamoyloxy]cyclohexyl]azanium chloride
PubChem CID28275
Molecular FormulaC18H29ClN2O2
Molecular Weight340.89 g/mol
Exact Mass340.19
IUPAC Namediethyl-[2-[(2-methylphenyl)carbamoyloxy]cyclohexyl]azanium chloride
SMILESCC[NH+](CC)C1CCCCC1OC(=O)Nc1ccccc1C.[Cl-]
InChIInChI=1S/C18H28N2O2.ClH/c1-4-20(5-2)16-12-8-9-13-17(16)22-18(21)19-15-11-7-6-10-14(15)3;/h6-7,10-11,16-17H,4-5,8-9,12-13H2,1-3H3,(H,19,21);1H
InChIKeyWYGAZVGAZYSQFJ-UHFFFAOYSA-N
XLogP-0.22
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.89
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[(2-methylphenyl)carbamoyloxy]cyclohexyl]azanium chloride?
The IUPAC name of diethyl-[2-[(2-methylphenyl)carbamoyloxy]cyclohexyl]azanium chloride (CID 28275) is diethyl-[2-[(2-methylphenyl)carbamoyloxy]cyclohexyl]azanium chloride.
What is the SMILES notation for diethyl-[2-[(2-methylphenyl)carbamoyloxy]cyclohexyl]azanium chloride?
The canonical SMILES for diethyl-[2-[(2-methylphenyl)carbamoyloxy]cyclohexyl]azanium chloride is CC[NH+](CC)C1CCCCC1OC(=O)Nc1ccccc1C.[Cl-].
What is the InChIKey of diethyl-[2-[(2-methylphenyl)carbamoyloxy]cyclohexyl]azanium chloride?
The InChIKey is WYGAZVGAZYSQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-4-20(5-2)16-12-8-9-13-17(16)22-18(21)19-15-11-7-6-10-14(15)3;/h6-7,10-11,16-17H,4-5,8-9,12-13H2,1-3H3,(H,19,21);1H.
What are the key properties of diethyl-[2-[(2-methylphenyl)carbamoyloxy]cyclohexyl]azanium chloride?
diethyl-[2-[(2-methylphenyl)carbamoyloxy]cyclohexyl]azanium chloride has a molecular weight of 340.89 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[(2-methylphenyl)carbamoyloxy]cyclohexyl]azanium chloride is sourced from PubChem (CID 28275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).