tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate

C17H18N2O3 — CID 59553417

IUPACtert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(OCC#N)c2ccccc12
InChIInChI=1S/C17H18N2O3/c1-17(2,3)22-16(20)19-14-8-9-15(21-11-10-18)13-7-5-4-6-12(13)14/h4-9H,11H2,1-3H3,(H,19,20)
InChIKeyXYIHZTPBFYGGMX-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.09
Rot. Bonds3

About tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate

tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate (PubChem CID 59553417) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate
PubChem CID59553417
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nametert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(OCC#N)c2ccccc12
InChIInChI=1S/C17H18N2O3/c1-17(2,3)22-16(20)19-14-8-9-15(21-11-10-18)13-7-5-4-6-12(13)14/h4-9H,11H2,1-3H3,(H,19,20)
InChIKeyXYIHZTPBFYGGMX-UHFFFAOYSA-N
XLogP4.09
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(3-chloropropoxy)naphthalen-1-yl]carbamate;4-(3-chloropropoxy)naphthalen-1-amine
CID 157060860
[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl] 2-iodo-2-methylpropanoate
CID 162509514
tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate
CID 86711521
tert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate
CID 144573046
tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate
CID 100780782
tert-butyl N-(4-nitronaphthalen-1-yl)carbamate
CID 15544597
tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate
CID 20768855
tert-butyl N-[4-[(8-oxo-7,9-dihydropurin-6-yl)oxy]naphthalen-1-yl]carbamate
CID 140610210
ethyl 2-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]oxyethoxy]acetate
CID 169273604
tert-butyl N-[5-(cyanomethyl)-2-methoxyphenyl]carbamate
CID 117410427
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 22620024

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate (CID 59553417) is tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc(OCC#N)c2ccccc12.
What is the InChIKey of tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate?
The InChIKey is XYIHZTPBFYGGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-17(2,3)22-16(20)19-14-8-9-15(21-11-10-18)13-7-5-4-6-12(13)14/h4-9H,11H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate?
tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate has a molecular weight of 298.34 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate is sourced from PubChem (CID 59553417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).