tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate

C17H27NO2 — CID 139689119

IUPACtert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate
SMILESCC(C)(C)CCc1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H27NO2/c1-16(2,3)11-10-13-8-7-9-14(12-13)18-15(19)20-17(4,5)6/h7-9,12H,10-11H2,1-6H3,(H,18,19)
InChIKeyFIWSFYFTDXBCHP-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.01
Rot. Bonds3

About tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate

tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate (PubChem CID 139689119) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate
PubChem CID139689119
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nametert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate
SMILESCC(C)(C)CCc1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H27NO2/c1-16(2,3)11-10-13-8-7-9-14(12-13)18-15(19)20-17(4,5)6/h7-9,12H,10-11H2,1-6H3,(H,18,19)
InChIKeyFIWSFYFTDXBCHP-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate (CID 139689119) is tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate is CC(C)(C)CCc1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate?
The InChIKey is FIWSFYFTDXBCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-16(2,3)11-10-13-8-7-9-14(12-13)18-15(19)20-17(4,5)6/h7-9,12H,10-11H2,1-6H3,(H,18,19).
What are the key properties of tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate?
tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate has a molecular weight of 277.41 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate is sourced from PubChem (CID 139689119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).