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N-benzyl-3-(benzylamino)propanamide

HCID 12374770
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C(CCNCc1ccccc1)NCc1ccccc1
InChIKey
WDQLKLNXCFXEKY-UHFFFAOYSA-N
Molecular formula
C17H20N2O
Average molar mass
268.35 g/mol

Names & identifiers

Preferred name
N-benzyl-3-(benzylamino)propanamide
IUPAC
N-benzyl-3-(benzylamino)propanamide

Names & synonyms

CHEMBL4577789BDBM50532900

Database identifiers

PubChem CID
12374770
ChEMBL
CHEMBL4577789
Nikkaji
J1.226.265E

Properties

Computed structural properties

XLogP
2
Topological polar surface area
41.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
20
Formal charge
0
Complexity
268

Related reactions

1 records
New reaction record
HRID 1147425 reaction equation
HRID 1147425As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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