diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride

C13H21ClN2O2 — CID 19537

IUPACdiethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride
SMILESCC[NH+](CC)CCOC(=O)Nc1ccccc1.[Cl-]
InChIInChI=1S/C13H20N2O2.ClH/c1-3-15(4-2)10-11-17-13(16)14-12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3,(H,14,16);1H
InChIKeyWGAGNDBDPRCBNH-UHFFFAOYSA-N
MW272.78 g/mol
LogP-1.84
Rot. Bonds6

About diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride

diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride (PubChem CID 19537) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride
PubChem CID19537
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Namediethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride
SMILESCC[NH+](CC)CCOC(=O)Nc1ccccc1.[Cl-]
InChIInChI=1S/C13H20N2O2.ClH/c1-3-15(4-2)10-11-17-13(16)14-12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3,(H,14,16);1H
InChIKeyWGAGNDBDPRCBNH-UHFFFAOYSA-N
XLogP-1.84
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Propham
CID 24685
Ethyl N-phenylcarbamate
CID 7591
Diperodon Hydrochloride
CID 10830
Carbetamide
CID 152031
(+-)-Diperodon
CID 10831
Legurame
CID 27689
Carbanilic acid, N-ethyl-, ethyl ester
CID 13901
Ethanol, 2,2'-(phenylimino)bis-, 1,1'-diacetate
CID 29521
Methyl phenylcarbamate
CID 17451
N-Phenylglycine ethyl ester
CID 75190
(1S)-1-(ethylcarbamoyl)ethyl N-phenylcarbamate
CID 443067
Carbanilic acid, p-iodo-, ethyl ester
CID 53741

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride?
The IUPAC name of diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride (CID 19537) is diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride.
What is the SMILES notation for diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride?
The canonical SMILES for diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride is CC[NH+](CC)CCOC(=O)Nc1ccccc1.[Cl-].
What is the InChIKey of diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride?
The InChIKey is WGAGNDBDPRCBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-3-15(4-2)10-11-17-13(16)14-12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3,(H,14,16);1H.
What are the key properties of diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride?
diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride has a molecular weight of 272.78 g/mol, XLogP of -1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride is sourced from PubChem (CID 19537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).