tert-butyl N-[4-(oxetan-3-ylamino)phenyl]carbamate

C14H20N2O3 — CID 107240402

IUPACtert-butyl N-[4-(oxetan-3-ylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC2COC2)cc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-11-6-4-10(5-7-11)15-12-8-18-9-12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyIAURPHVGFLWCPM-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.84
Rot. Bonds3

About tert-butyl N-[4-(oxetan-3-ylamino)phenyl]carbamate

tert-butyl N-[4-(oxetan-3-ylamino)phenyl]carbamate (PubChem CID 107240402) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-[4-(oxetan-3-ylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(oxetan-3-ylamino)phenyl]carbamate
PubChem CID107240402
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-[4-(oxetan-3-ylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC2COC2)cc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-11-6-4-10(5-7-11)15-12-8-18-9-12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyIAURPHVGFLWCPM-UHFFFAOYSA-N
XLogP2.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(oxetan-3-ylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(oxetan-3-ylamino)phenyl]carbamate (CID 107240402) is tert-butyl N-[4-(oxetan-3-ylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(oxetan-3-ylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(oxetan-3-ylamino)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NC2COC2)cc1.
What is the InChIKey of tert-butyl N-[4-(oxetan-3-ylamino)phenyl]carbamate?
The InChIKey is IAURPHVGFLWCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-11-6-4-10(5-7-11)15-12-8-18-9-12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[4-(oxetan-3-ylamino)phenyl]carbamate?
tert-butyl N-[4-(oxetan-3-ylamino)phenyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(oxetan-3-ylamino)phenyl]carbamate is sourced from PubChem (CID 107240402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).