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tert-butyl N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]carbamate

HCID 18352011
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCN1CCCCC1
InChIKey
MIDSOTAVTLVZNF-UHFFFAOYSA-N
Molecular formula
C28H39N3O4
Average molar mass
481.6 g/mol

Names & identifiers

Preferred name
tert-butyl N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]carbamate
IUPAC
tert-butyl N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]carbamate

Database identifiers

PubChem CID
18352011

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
79.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
12
Heavy atoms
35
Formal charge
0
Complexity
631

Related reactions

1 records
New reaction record
HRID 92017 reaction equation
HRID 92017As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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