tert-butyl N-(1-naphthalen-2-ylethyl)carbamate

C17H21NO2 — CID 70974235

IUPACtert-butyl N-(1-naphthalen-2-ylethyl)carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO2/c1-12(18-16(19)20-17(2,3)4)14-10-9-13-7-5-6-8-15(13)11-14/h5-12H,1-4H3,(H,18,19)
InChIKeyAKZXMDLYZOHKPX-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.43
Rot. Bonds2

About tert-butyl N-(1-naphthalen-2-ylethyl)carbamate

tert-butyl N-(1-naphthalen-2-ylethyl)carbamate (PubChem CID 70974235) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl N-(1-naphthalen-2-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-naphthalen-2-ylethyl)carbamate
PubChem CID70974235
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Nametert-butyl N-(1-naphthalen-2-ylethyl)carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO2/c1-12(18-16(19)20-17(2,3)4)14-10-9-13-7-5-6-8-15(13)11-14/h5-12H,1-4H3,(H,18,19)
InChIKeyAKZXMDLYZOHKPX-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(2S)-3-methyl-1-[[(1R)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]carbamate
CID 15300663
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate
CID 42628234
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 56955216
tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758
tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
CID 63787966
tert-butyl N-[(1R)-1-(4-bromophenyl)ethyl]carbamate
CID 52987808
tert-butyl N-[(1S)-1-(4-chlorophenyl)ethyl]carbamate
CID 81353770
tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964
tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate
CID 155749556
tert-butyl N-[(1S)-2,2-bis(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]carbamate
CID 102082022
tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate
CID 16663836

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-naphthalen-2-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(1-naphthalen-2-ylethyl)carbamate (CID 70974235) is tert-butyl N-(1-naphthalen-2-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-naphthalen-2-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(1-naphthalen-2-ylethyl)carbamate is CC(NC(=O)OC(C)(C)C)c1ccc2ccccc2c1.
What is the InChIKey of tert-butyl N-(1-naphthalen-2-ylethyl)carbamate?
The InChIKey is AKZXMDLYZOHKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(18-16(19)20-17(2,3)4)14-10-9-13-7-5-6-8-15(13)11-14/h5-12H,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-(1-naphthalen-2-ylethyl)carbamate?
tert-butyl N-(1-naphthalen-2-ylethyl)carbamate has a molecular weight of 271.36 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-naphthalen-2-ylethyl)carbamate is sourced from PubChem (CID 70974235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).