tert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate

C16H24N2O3 — CID 115059235

IUPACtert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1(c2ccc(O)cc2)CCN1
InChIInChI=1S/C16H24N2O3/c1-15(2,3)21-14(20)17-10-8-16(9-11-18-16)12-4-6-13(19)7-5-12/h4-7,18-19H,8-11H2,1-3H3,(H,17,20)
InChIKeyAEDGHMOWXKHARI-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.50
Rot. Bonds4

About tert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate

tert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate (PubChem CID 115059235) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate
PubChem CID115059235
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1(c2ccc(O)cc2)CCN1
InChIInChI=1S/C16H24N2O3/c1-15(2,3)21-14(20)17-10-8-16(9-11-18-16)12-4-6-13(19)7-5-12/h4-7,18-19H,8-11H2,1-3H3,(H,17,20)
InChIKeyAEDGHMOWXKHARI-UHFFFAOYSA-N
XLogP2.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate
CID 115059191
tert-butyl N-[[2-(2-fluorophenyl)azetidin-2-yl]methyl]carbamate
CID 115059181
tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate
CID 2795733
tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
CID 118973665
tert-butyl N-[2-(4-hydroxyphenyl)sulfinylethyl]carbamate
CID 146613721
methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate
CID 166000123
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
tert-butyl N-[2-(1,1-dioxo-4-phenylthian-4-yl)ethyl]carbamate
CID 90067671
tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
CID 105467938
tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate
CID 108871280
tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate
CID 171884279
tert-butyl N-[3-(cyanomethylamino)-2-(4-hydroxyphenyl)-3-oxopropyl]carbamate
CID 87994072

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate (CID 115059235) is tert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCC1(c2ccc(O)cc2)CCN1.
What is the InChIKey of tert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate?
The InChIKey is AEDGHMOWXKHARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-15(2,3)21-14(20)17-10-8-16(9-11-18-16)12-4-6-13(19)7-5-12/h4-7,18-19H,8-11H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate?
tert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate is sourced from PubChem (CID 115059235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).