tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate

C17H21NO2 — CID 25171739

IUPACtert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-12(18-16(19)20-17(2,3)4)14-11-7-9-13-8-5-6-10-15(13)14/h5-12H,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyBXIZIFGFKQCKCN-GFCCVEGCSA-N
MW271.36 g/mol
LogP4.43
Rot. Bonds2

About tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate

tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate (PubChem CID 25171739) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
PubChem CID25171739
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Nametert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-12(18-16(19)20-17(2,3)4)14-11-7-9-13-8-5-6-10-15(13)14/h5-12H,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyBXIZIFGFKQCKCN-GFCCVEGCSA-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-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate
CID 10739656
diethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]-naphthalen-1-ylmethyl]propanedioate
CID 11611380
(2S,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid
CID 7176246
(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid
CID 7176242
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
2-hydroxyethyl N-(1-naphthalen-1-ylethyl)carbamate
CID 79349046
tert-butyl N-[(1S)-1-naphthalen-1-yl-2-nitroethyl]carbamate
CID 102432583
tert-butyl 3-(1-naphthalen-1-ylethylcarbamoyl)azetidine-1-carboxylate
CID 163236397
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 125470407

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate (CID 25171739) is tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)c1cccc2ccccc12.
What is the InChIKey of tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
The InChIKey is BXIZIFGFKQCKCN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(18-16(19)20-17(2,3)4)14-11-7-9-13-8-5-6-10-15(13)14/h5-12H,1-4H3,(H,18,19)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
tert-butyl N-[(1R)-1-naphthalen-1-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-[(1R)-1-naphthalen-1-ylethyl]carbamate is sourced from PubChem (CID 25171739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).