cyclobutyl N-(4-aminophenyl)carbamate

C11H14N2O2 — CID 62139706

IUPACcyclobutyl N-(4-aminophenyl)carbamate
SMILESNc1ccc(NC(=O)OC2CCC2)cc1
InChIInChI=1S/C11H14N2O2/c12-8-4-6-9(7-5-8)13-11(14)15-10-2-1-3-10/h4-7,10H,1-3,12H2,(H,13,14)
InChIKeyIXMFYNSGXONVDO-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.37
Rot. Bonds2

About cyclobutyl N-(4-aminophenyl)carbamate

cyclobutyl N-(4-aminophenyl)carbamate (PubChem CID 62139706) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is cyclobutyl N-(4-aminophenyl)carbamate.

Molecular Properties

Compound Namecyclobutyl N-(4-aminophenyl)carbamate
PubChem CID62139706
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namecyclobutyl N-(4-aminophenyl)carbamate
SMILESNc1ccc(NC(=O)OC2CCC2)cc1
InChIInChI=1S/C11H14N2O2/c12-8-4-6-9(7-5-8)13-11(14)15-10-2-1-3-10/h4-7,10H,1-3,12H2,(H,13,14)
InChIKeyIXMFYNSGXONVDO-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
(4-aminophenyl)carbamoyl cyclopropanecarboxylate
CID 175187353
N-(4-aminophenyl)-2-cyclopentyloxyacetamide
CID 16783535
cyclopentyl N-(3,4-dichlorophenyl)carbamate
CID 5110802
[(1S,4R,8R)-9-oxabicyclo[6.1.0]nonan-4-yl] N-phenylcarbamate
CID 94036960
cyclobutyl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70516961
(3-aminocyclohexyl) N-[4-(trifluoromethyl)phenyl]carbamate
CID 79458052
cyclobutyl N-[3-(aminomethyl)phenyl]carbamate
CID 62139708
cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate
CID 90710466
[(1S)-cyclooct-4-en-1-yl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate
CID 90711784
(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 93056889
(2-aminocyclopentyl) N-(4-fluorophenyl)carbamate
CID 113395530

Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-(4-aminophenyl)carbamate?
The IUPAC name of cyclobutyl N-(4-aminophenyl)carbamate (CID 62139706) is cyclobutyl N-(4-aminophenyl)carbamate.
What is the SMILES notation for cyclobutyl N-(4-aminophenyl)carbamate?
The canonical SMILES for cyclobutyl N-(4-aminophenyl)carbamate is Nc1ccc(NC(=O)OC2CCC2)cc1.
What is the InChIKey of cyclobutyl N-(4-aminophenyl)carbamate?
The InChIKey is IXMFYNSGXONVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-8-4-6-9(7-5-8)13-11(14)15-10-2-1-3-10/h4-7,10H,1-3,12H2,(H,13,14).
What are the key properties of cyclobutyl N-(4-aminophenyl)carbamate?
cyclobutyl N-(4-aminophenyl)carbamate has a molecular weight of 206.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl N-(4-aminophenyl)carbamate is sourced from PubChem (CID 62139706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).