[2-tert-butyl-1-(4-chlorophenyl)cyclobutyl] carbamate

C15H20ClNO2 — CID 67068994

IUPAC[2-tert-butyl-1-(4-chlorophenyl)cyclobutyl] carbamate
SMILESCC(C)(C)C1CCC1(OC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO2/c1-14(2,3)12-8-9-15(12,19-13(17)18)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H2,17,18)
InChIKeyFQUHMOZCMGDGSG-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.09
Rot. Bonds2

About [2-tert-butyl-1-(4-chlorophenyl)cyclobutyl] carbamate

[2-tert-butyl-1-(4-chlorophenyl)cyclobutyl] carbamate (PubChem CID 67068994) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is [2-tert-butyl-1-(4-chlorophenyl)cyclobutyl] carbamate.

Molecular Properties

Compound Name[2-tert-butyl-1-(4-chlorophenyl)cyclobutyl] carbamate
PubChem CID67068994
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name[2-tert-butyl-1-(4-chlorophenyl)cyclobutyl] carbamate
SMILESCC(C)(C)C1CCC1(OC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO2/c1-14(2,3)12-8-9-15(12,19-13(17)18)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H2,17,18)
InChIKeyFQUHMOZCMGDGSG-UHFFFAOYSA-N
XLogP4.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 25301
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CID 13433129
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CID 42624930
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CID 46850305
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CID 134941816
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CID 20975716
CID 20975716
CID 53694152
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CID 57259798
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CID 68798340
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CID 70385121
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CID 70480302
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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-1-(4-chlorophenyl)cyclobutyl] carbamate?
The IUPAC name of [2-tert-butyl-1-(4-chlorophenyl)cyclobutyl] carbamate (CID 67068994) is [2-tert-butyl-1-(4-chlorophenyl)cyclobutyl] carbamate.
What is the SMILES notation for [2-tert-butyl-1-(4-chlorophenyl)cyclobutyl] carbamate?
The canonical SMILES for [2-tert-butyl-1-(4-chlorophenyl)cyclobutyl] carbamate is CC(C)(C)C1CCC1(OC(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-tert-butyl-1-(4-chlorophenyl)cyclobutyl] carbamate?
The InChIKey is FQUHMOZCMGDGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-14(2,3)12-8-9-15(12,19-13(17)18)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H2,17,18).
What are the key properties of [2-tert-butyl-1-(4-chlorophenyl)cyclobutyl] carbamate?
[2-tert-butyl-1-(4-chlorophenyl)cyclobutyl] carbamate has a molecular weight of 281.78 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-1-(4-chlorophenyl)cyclobutyl] carbamate is sourced from PubChem (CID 67068994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).