tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate

C16H19NO3 — CID 12843045

IUPACtert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
SMILESCOc1ccc2c(NC(=O)OC(C)(C)C)cccc2c1
InChIInChI=1S/C16H19NO3/c1-16(2,3)20-15(18)17-14-7-5-6-11-10-12(19-4)8-9-13(11)14/h5-10H,1-4H3,(H,17,18)
InChIKeyNKNNZDBKJDQSLJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.20
Rot. Bonds2

About tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate

tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate (PubChem CID 12843045) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
PubChem CID12843045
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nametert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
SMILESCOc1ccc2c(NC(=O)OC(C)(C)C)cccc2c1
InChIInChI=1S/C16H19NO3/c1-16(2,3)20-15(18)17-14-7-5-6-11-10-12(19-4)8-9-13(11)14/h5-10H,1-4H3,(H,17,18)
InChIKeyNKNNZDBKJDQSLJ-UHFFFAOYSA-N
XLogP4.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate
CID 141432303
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
6-methoxy-N-methylnaphthalen-1-amine
CID 15933755
tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate
CID 71540754
tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate
CID 60556997
tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate
CID 107239683
tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate
CID 10955644
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophene-2-carboxylate
CID 142499829
tert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate
CID 150294769
tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate
CID 10760197
tert-butyl N-[3-[3-(dimethylamino)prop-2-enoyl]-7-methoxynaphthalen-1-yl]carbamate
CID 67305617
tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate
CID 134485440

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate?
The IUPAC name of tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate (CID 12843045) is tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate is COc1ccc2c(NC(=O)OC(C)(C)C)cccc2c1.
What is the InChIKey of tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate?
The InChIKey is NKNNZDBKJDQSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-16(2,3)20-15(18)17-14-7-5-6-11-10-12(19-4)8-9-13(11)14/h5-10H,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate?
tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate has a molecular weight of 273.33 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate is sourced from PubChem (CID 12843045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).