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tert-butyl N-[4-[[[2-(3-methoxypropoxy)benzoyl]amino]methyl]-5-methyl-1-oxohexan-2-yl]carbamate

HCID 91165337
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COCCCOc1ccccc1C(=O)NCC(CC(C=O)NC(=O)OC(C)(C)C)C(C)C
InChIKey
DWQDVFZKOLSVDG-UHFFFAOYSA-N
Molecular formula
C24H38N2O6
Average molar mass
450.6 g/mol

Names & identifiers

Preferred name
tert-butyl N-[4-[[[2-(3-methoxypropoxy)benzoyl]amino]methyl]-5-methyl-1-oxohexan-2-yl]carbamate
IUPAC
tert-butyl N-[4-[[[2-(3-methoxypropoxy)benzoyl]amino]methyl]-5-methyl-1-oxohexan-2-yl]carbamate

Database identifiers

PubChem CID
91165337

Properties

Computed structural propertiesFilling in

XLogP
3.6
Topological polar surface area
103 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
15
Heavy atoms
32
Formal charge
0
Complexity
575

Related reactions

2 records
New reaction record
HRID 172397 reaction equation
HRID 172397As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 211992 reaction equation
HRID 211992As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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