tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate

C18H18N2O4 — CID 66818758

IUPACtert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(O)cc(Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C18H18N2O4/c1-18(2,3)24-17(22)20-13-8-14(21)10-16(9-13)23-15-6-4-12(11-19)5-7-15/h4-10,21H,1-3H3,(H,20,22)
InChIKeyJVJOZIVYVSOAHV-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.40
Rot. Bonds3

About tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate

tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate (PubChem CID 66818758) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate
PubChem CID66818758
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Nametert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(O)cc(Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C18H18N2O4/c1-18(2,3)24-17(22)20-13-8-14(21)10-16(9-13)23-15-6-4-12(11-19)5-7-15/h4-10,21H,1-3H3,(H,20,22)
InChIKeyJVJOZIVYVSOAHV-UHFFFAOYSA-N
XLogP4.40
TPSA91.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-cyano-5-(4-phenoxyphenyl)phenyl]carbamate;formamide
CID 178084282
tert-butyl N-(3-tert-butyl-5-cyanophenyl)carbamate
CID 58902321
tert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate
CID 139833156
tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate
CID 22033548
tert-butyl N-(2-amino-5-cyanophenyl)carbamate
CID 18545768
tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate
CID 69433893
tert-butyl N-[4-[[3-(3-amino-4-nitrophenoxy)-5-(4-cyanophenoxy)phenyl]carbamoyl]cyclohexyl]carbamate
CID 67606161
3-(4-cyanophenoxy)-5-[2,6-difluoro-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]benzoic acid
CID 66818640
tert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate
CID 174337768
[4-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]boronic acid
CID 142785533
tert-butyl N-[4-[[3,5-bis[(4-cyanophenyl)methoxy]phenyl]carbamoyl]cyclohexyl]carbamate
CID 66819115
tert-butyl N-[1-[[3-cyano-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methoxy]propan-2-yl]carbamate
CID 167100847

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate (CID 66818758) is tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(O)cc(Oc2ccc(C#N)cc2)c1.
What is the InChIKey of tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate?
The InChIKey is JVJOZIVYVSOAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-18(2,3)24-17(22)20-13-8-14(21)10-16(9-13)23-15-6-4-12(11-19)5-7-15/h4-10,21H,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate?
tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate has a molecular weight of 326.35 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate is sourced from PubChem (CID 66818758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).