dibenzofuran-2-yl N-hexylcarbamate

C19H21NO3 — CID 15229767

IUPACdibenzofuran-2-yl N-hexylcarbamate
SMILESCCCCCCNC(=O)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H21NO3/c1-2-3-4-7-12-20-19(21)22-14-10-11-18-16(13-14)15-8-5-6-9-17(15)23-18/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,20,21)
InChIKeyWMCISWZSSZRDSO-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.25
Rot. Bonds6

About dibenzofuran-2-yl N-hexylcarbamate

dibenzofuran-2-yl N-hexylcarbamate (PubChem CID 15229767) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is dibenzofuran-2-yl N-hexylcarbamate.

Molecular Properties

Compound Namedibenzofuran-2-yl N-hexylcarbamate
PubChem CID15229767
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namedibenzofuran-2-yl N-hexylcarbamate
SMILESCCCCCCNC(=O)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H21NO3/c1-2-3-4-7-12-20-19(21)22-14-10-11-18-16(13-14)15-8-5-6-9-17(15)23-18/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,20,21)
InChIKeyWMCISWZSSZRDSO-UHFFFAOYSA-N
XLogP5.25
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-acetyl-3-hydroxyphenyl) N-octylcarbamate
CID 22971769
[4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate
CID 146404459
dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate
CID 5147603
quinolin-6-yl N-hexylcarbamate
CID 11587138
N-propyldibenzofuran-2-carboxamide
CID 19048225
dibenzofuran-2-yl 3-methylbut-2-enoate
CID 30707785
[4-[4-(decylcarbamoyloxy)phenyl]sulfonylphenyl] N-decylcarbamate
CID 102112450
methyl 4-(hexylcarbamoyloxy)benzoate
CID 42646580
[3,5-bis(butylcarbamoyloxy)phenyl] N-butylcarbamate
CID 139198999
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
[3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate
CID 134123208

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl N-hexylcarbamate?
The IUPAC name of dibenzofuran-2-yl N-hexylcarbamate (CID 15229767) is dibenzofuran-2-yl N-hexylcarbamate.
What is the SMILES notation for dibenzofuran-2-yl N-hexylcarbamate?
The canonical SMILES for dibenzofuran-2-yl N-hexylcarbamate is CCCCCCNC(=O)Oc1ccc2oc3ccccc3c2c1.
What is the InChIKey of dibenzofuran-2-yl N-hexylcarbamate?
The InChIKey is WMCISWZSSZRDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-3-4-7-12-20-19(21)22-14-10-11-18-16(13-14)15-8-5-6-9-17(15)23-18/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,20,21).
What are the key properties of dibenzofuran-2-yl N-hexylcarbamate?
dibenzofuran-2-yl N-hexylcarbamate has a molecular weight of 311.38 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl N-hexylcarbamate is sourced from PubChem (CID 15229767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).