1-[2-(1-Adamantyl)ethyl]-1-(2-methylaminoethyl)-3-[3-(4-pyridyl)propyl]urea

HCID 12136648

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CNCCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCCc1ccncc1
InChIKey: BUEMTNSZKGQENY-UHFFFAOYSA-N
Molecular formula: C24H38N4O
Average molar mass: 398.6 g/mol

Names & identifiers

Preferred name: 1-[2-(1-Adamantyl)ethyl]-1-(2-methylaminoethyl)-3-[3-(4-pyridyl)propyl]urea
IUPAC: 1-[2-(1-adamantyl)ethyl]-1-[2-(methylamino)ethyl]-3-(3-pyridin-4-ylpropyl)urea

Names & synonyms

SCHEMBL1677498BUEMTNSZKGQENY-UHFFFAOYSA-N1-[2-(1-adamantyl)ethyl]-1-(2-methylaminoethyl)-3-[3-(4-pyridyl)propyl]urea1-[2-(1-Adamantyl)ethyl]-1-[2-(Methylamino)ethyl]-3-[3-(4-pyridyl)propyl]urea

Database identifiers

PubChem CID: 12136648

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 57.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 10
Heavy atoms: 29
Formal charge: 0
Complexity: 490

Related reactions

7 records

New reaction record

HRID 11478As reactantuspto-grants-2006_08

HRID 18408As reactantuspto-grants-2010_06

HRID 680141As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 952792As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1393182As reactantuspto-grants-2008_03

HRID 2075913As reactantuspto-grants-2011_04

HRID 2075916As productuspto-grants-2011_04

Compound notes

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