butyl N-phenylcarbamate

C11H15NO2 — CID 15233

IUPACbutyl N-phenylcarbamate
SMILESCCCCOC(=O)Nc1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)
InChIKeyZTIMKJROOYMUMU-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.04
Rot. Bonds4

About butyl N-phenylcarbamate

butyl N-phenylcarbamate (PubChem CID 15233) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is butyl N-phenylcarbamate.

Molecular Properties

Compound Namebutyl N-phenylcarbamate
PubChem CID15233
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namebutyl N-phenylcarbamate
SMILESCCCCOC(=O)Nc1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)
InChIKeyZTIMKJROOYMUMU-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetanilide
CID 904
Propham
CID 24685
Chlorpropham
CID 2728
2-Methylacetanilide
CID 12107
Isopropyl N-4-chlorophenylcarbamate
CID 16712
Ethyl N-phenylcarbamate
CID 7591
Carbanilic acid, 1,1-dimethyl-2-propynyl ester
CID 22717
2-Propanone O-((phenylamino)carbonyl)oxime
CID 17808
N-Phenylbutanamide
CID 14323
N,N'-diacetyl-p-phenylenediamine
CID 67324
cyclohexyl N-phenylcarbamate
CID 246597
Cyclopentyl phenylcarbamate
CID 18899

Frequently Asked Questions

What is the IUPAC name of butyl N-phenylcarbamate?
The IUPAC name of butyl N-phenylcarbamate (CID 15233) is butyl N-phenylcarbamate.
What is the SMILES notation for butyl N-phenylcarbamate?
The canonical SMILES for butyl N-phenylcarbamate is CCCCOC(=O)Nc1ccccc1.
What is the InChIKey of butyl N-phenylcarbamate?
The InChIKey is ZTIMKJROOYMUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13).
What are the key properties of butyl N-phenylcarbamate?
butyl N-phenylcarbamate has a molecular weight of 193.25 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-phenylcarbamate is sourced from PubChem (CID 15233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).