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1,1-Dimethylethyl {1,1-dimethyl-2-[(phenylmethyl)oxy]ethyl}carbamate

HCID 57718559
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(COCc1ccccc1)NC(=O)OC(C)(C)C
InChIKey
XHMWHFRVDHACRN-UHFFFAOYSA-N
Molecular formula
C16H25NO3
Average molar mass
279.37 g/mol
Monoisotopic mass
279.18344366

Names & identifiers

Preferred name
1,1-Dimethylethyl {1,1-dimethyl-2-[(phenylmethyl)oxy]ethyl}carbamate
IUPAC
tert-butyl N-(2-methyl-1-phenylmethoxypropan-2-yl)carbamate

Names & synonyms

1349188-09-5SCHEMBL13690849XHMWHFRVDHACRN-UHFFFAOYSA-NMFCD32739010SY569001DB-2145201-(Benzyloxy)-N-Boc-2-methyl-2-propanamineTert-butyl N-[1-(benzyloxy)-2-methylpropan-2-yl]carbamate1,1-Dimethylethyl {1,1-dimethyl-2-[(phenylmethyl)oxy]ethyl}carbamate

Database identifiers

PubChem CID
57718559

Properties

Computed structural propertiesFilling in

XLogP
2.9
Topological polar surface area
47.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
20
Formal charge
0
Complexity
301

Related reactions

2 records
New reaction record
HRID 185628 reaction equation
HRID 185628As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 852626 reaction equation
HRID 852626As productuspto-grants-2007_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes