tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate

C16H24N2O4 — CID 107243444

IUPACtert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(OCCNC2COC2)c1
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(19)18-12-5-4-6-14(9-12)21-8-7-17-13-10-20-11-13/h4-6,9,13,17H,7-8,10-11H2,1-3H3,(H,18,19)
InChIKeyQMSYNZCYSZBSRY-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.40
Rot. Bonds6

About tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate

tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate (PubChem CID 107243444) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate
PubChem CID107243444
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(OCCNC2COC2)c1
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(19)18-12-5-4-6-14(9-12)21-8-7-17-13-10-20-11-13/h4-6,9,13,17H,7-8,10-11H2,1-3H3,(H,18,19)
InChIKeyQMSYNZCYSZBSRY-UHFFFAOYSA-N
XLogP2.40
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[2-(oxolan-3-ylamino)ethoxy]phenyl]carbamate
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tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate
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tert-butyl N-(3-ethoxyphenyl)carbamate
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tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate
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tert-butyl N-[4-[2-(pyrrolidin-3-ylamino)ethoxy]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate (CID 107243444) is tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(OCCNC2COC2)c1.
What is the InChIKey of tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate?
The InChIKey is QMSYNZCYSZBSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,3)22-15(19)18-12-5-4-6-14(9-12)21-8-7-17-13-10-20-11-13/h4-6,9,13,17H,7-8,10-11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate?
tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(oxetan-3-ylamino)ethoxy]phenyl]carbamate is sourced from PubChem (CID 107243444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).