tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate

C16H23NO3 — CID 58242220

IUPACtert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCc2cccc(O)c2C1
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-10-11-7-8-12-5-4-6-14(18)13(12)9-11/h4-6,11,18H,7-10H2,1-3H3,(H,17,19)
InChIKeyCZSZVWGVOKYKBQ-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.02
Rot. Bonds2

About tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate

tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate (PubChem CID 58242220) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
PubChem CID58242220
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCc2cccc(O)c2C1
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-10-11-7-8-12-5-4-6-14(18)13(12)9-11/h4-6,11,18H,7-10H2,1-3H3,(H,17,19)
InChIKeyCZSZVWGVOKYKBQ-UHFFFAOYSA-N
XLogP3.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54298591
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[(6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
CID 19386041
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
benzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
CID 70187498
tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate
CID 130120349
tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate
CID 131227813
ethyl 2-[[(7S)-7-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
CID 54442037
tert-butyl N-[[1-(4-amino-3-hydroxyphenyl)piperidin-4-yl]methyl]carbamate
CID 164687599
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
methyl (2S)-3-amino-2-[[2-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,6-dimethylpyrimidine-5-carbonyl]amino]propanoate;methyl (2S)-2-[[2-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,6-dimethylpyrimidine-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 159391936

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate (CID 58242220) is tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CCc2cccc(O)c2C1.
What is the InChIKey of tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate?
The InChIKey is CZSZVWGVOKYKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-10-11-7-8-12-5-4-6-14(18)13(12)9-11/h4-6,11,18H,7-10H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate?
tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate has a molecular weight of 277.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate is sourced from PubChem (CID 58242220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).