tert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate

C23H22N2O3 — CID 139833156

IUPACtert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(OCc2ccc3cc(C#N)ccc3c2)cc1
InChIInChI=1S/C23H22N2O3/c1-23(2,3)28-22(26)25-20-8-10-21(11-9-20)27-15-17-5-7-18-12-16(14-24)4-6-19(18)13-17/h4-13H,15H2,1-3H3,(H,25,26)
InChIKeyVDAKIVHYJQOJSU-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.64
Rot. Bonds4

About tert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate

tert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate (PubChem CID 139833156) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is tert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate
PubChem CID139833156
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Nametert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(OCc2ccc3cc(C#N)ccc3c2)cc1
InChIInChI=1S/C23H22N2O3/c1-23(2,3)28-22(26)25-20-8-10-21(11-9-20)27-15-17-5-7-18-12-16(14-24)4-6-19(18)13-17/h4-13H,15H2,1-3H3,(H,25,26)
InChIKeyVDAKIVHYJQOJSU-UHFFFAOYSA-N
XLogP5.64
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[7-[(6-cyanonaphthalen-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
CID 15895279
tert-butyl N-[4-[[3-(3-hydroxypropyl)phenyl]methoxy]phenyl]carbamate
CID 139940090
tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate
CID 66818758
tert-butyl N-[4-(bromomethoxy)phenyl]carbamate
CID 142798016
methyl (E)-3-[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]methyl]phenyl]prop-2-enoate
CID 139940086
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
3-(6-cyanonaphthalen-2-yl)-2,2-dimethylpropanoic acid
CID 150624746
tert-butyl N-(6-cyano-1-iodonaphthalen-2-yl)carbamate
CID 57343042
tert-butyl N-[4-[[3,5-bis[(4-cyanophenyl)methoxy]phenyl]carbamoyl]cyclohexyl]carbamate
CID 66819115
tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate
CID 17097680
tert-butyl N-[4-[(3-oxocyclobutyl)methoxy]phenyl]carbamate
CID 170749117
tert-butyl 2-amino-3-[4-[(4-cyanophenyl)methoxy]phenyl]propanoate
CID 70059435

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate (CID 139833156) is tert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(OCc2ccc3cc(C#N)ccc3c2)cc1.
What is the InChIKey of tert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate?
The InChIKey is VDAKIVHYJQOJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-23(2,3)28-22(26)25-20-8-10-21(11-9-20)27-15-17-5-7-18-12-16(14-24)4-6-19(18)13-17/h4-13H,15H2,1-3H3,(H,25,26).
What are the key properties of tert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate?
tert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate has a molecular weight of 374.44 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate is sourced from PubChem (CID 139833156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).