potassium;carbanide;ethyl N-phenylcarbamate

C10H13KNO2- — CID 178128429

IUPACpotassium;carbanide;ethyl N-phenylcarbamate
SMILESCCOC(=O)Nc1c[c-]ccc1.[CH3-].[K+]
InChIInChI=1S/C9H10NO2.CH3.K/c1-2-12-9(11)10-8-6-4-3-5-7-8;;/h3-4,6-7H,2H2,1H3,(H,10,11);1H3;/q2*-1;+1
InChIKeyXNOIOUORIGKSSE-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.49
Rot. Bonds2

About potassium;carbanide;ethyl N-phenylcarbamate

potassium;carbanide;ethyl N-phenylcarbamate (PubChem CID 178128429) has the molecular formula C10H13KNO2- and a molecular weight of 218.32 g/mol. Its IUPAC name is potassium;carbanide;ethyl N-phenylcarbamate.

Molecular Properties

Compound Namepotassium;carbanide;ethyl N-phenylcarbamate
PubChem CID178128429
Molecular FormulaC10H13KNO2-
Molecular Weight218.32 g/mol
Exact Mass218.06
IUPAC Namepotassium;carbanide;ethyl N-phenylcarbamate
SMILESCCOC(=O)Nc1c[c-]ccc1.[CH3-].[K+]
InChIInChI=1S/C9H10NO2.CH3.K/c1-2-12-9(11)10-8-6-4-3-5-7-8;;/h3-4,6-7H,2H2,1H3,(H,10,11);1H3;/q2*-1;+1
InChIKeyXNOIOUORIGKSSE-UHFFFAOYSA-N
XLogP-0.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
CID 60723628
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
CID 26688111
ethyl N-(1-oxidopyridin-1-ium-3-yl)carbamate
CID 602650
ethyl N-(6-deuterio-3-pyridinyl)carbamate
CID 175880525

Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;ethyl N-phenylcarbamate?
The IUPAC name of potassium;carbanide;ethyl N-phenylcarbamate (CID 178128429) is potassium;carbanide;ethyl N-phenylcarbamate.
What is the SMILES notation for potassium;carbanide;ethyl N-phenylcarbamate?
The canonical SMILES for potassium;carbanide;ethyl N-phenylcarbamate is CCOC(=O)Nc1c[c-]ccc1.[CH3-].[K+].
What is the InChIKey of potassium;carbanide;ethyl N-phenylcarbamate?
The InChIKey is XNOIOUORIGKSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO2.CH3.K/c1-2-12-9(11)10-8-6-4-3-5-7-8;;/h3-4,6-7H,2H2,1H3,(H,10,11);1H3;/q2*-1;+1.
What are the key properties of potassium;carbanide;ethyl N-phenylcarbamate?
potassium;carbanide;ethyl N-phenylcarbamate has a molecular weight of 218.32 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;ethyl N-phenylcarbamate is sourced from PubChem (CID 178128429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).