1-(dimethylamino)-3-(9H-xanthen-9-yl)urea

HCID 21538024

Substructure search Find similar structures

Basic information

Standard SMILES: CN(C)NC(=O)NC1c2ccccc2Oc2ccccc21
InChIKey: ZIKZLFAFMCEWOE-UHFFFAOYSA-N
Molecular formula: C16H17N3O2
Average molar mass: 283.32 g/mol

Names & identifiers

Preferred name: 1-(dimethylamino)-3-(9H-xanthen-9-yl)urea
IUPAC: 1-(dimethylamino)-3-(9H-xanthen-9-yl)urea

Database identifiers

PubChem CID: 21538024

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 53.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 353

Related reactions

4 records

New reaction record

HRID 90619 reaction equation

HRID 90619As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 137110 reaction equation

HRID 137110As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 209199 reaction equation

HRID 209199As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1232140 reaction equation

HRID 1232140As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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