Benzyl 3-(3-isocyanatobenzamido)propionate

HCID 54246722
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Basic information

Standard SMILES
O=C=Nc1cccc(C(=O)NCCC(=O)OCc2ccccc2)c1
InChIKey
QTTXOFIGIPBWMK-UHFFFAOYSA-N
Molecular formula
C18H16N2O4
Average molar mass
324.3 g/mol

Names & identifiers

Preferred name
Benzyl 3-(3-isocyanatobenzamido)propionate
IUPAC
benzyl 3-[(3-isocyanatobenzoyl)amino]propanoate

Names & synonyms

SCHEMBL7909435QTTXOFIGIPBWMK-UHFFFAOYSA-Nbenzyl 3-(3-isocyanatobenzamido)propionate

Database identifiers

PubChem CID
54246722

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
84.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
24

Related reactions

2 records
New reaction record

Compound notes

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