tert-Butyl 3-(methylcarbamoyl)pentan-3-ylcarbamate

HCID 86674754

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCC(CC)(NC(=O)OC(C)(C)C)C(=O)NC
InChIKey: PIACIKBSEOWBFL-UHFFFAOYSA-N
Molecular formula: C12H24N2O3
Average molar mass: 244.33 g/mol
Monoisotopic mass: 244.17869263

Names & identifiers

Preferred name: tert-Butyl 3-(methylcarbamoyl)pentan-3-ylcarbamate
IUPAC: tert-butyl N-[3-(methylcarbamoyl)pentan-3-yl]carbamate

Names & synonyms

tert-Butyl 3-(methylcarbamoyl)pentan-3-ylcarbamateSCHEMBL14152176PIACIKBSEOWBFL-UHFFFAOYSA-N

Database identifiers

PubChem CID: 86674754

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 67.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 278

Related reactions

7 records

New reaction record

HRID 632078As productuspto-grants-2016_04

HRID 632079As reactantuspto-grants-2016_04

HRID 677015As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 927464As productuspto-grants-2016_03

HRID 927465As reactantuspto-grants-2016_03

HRID 1480093As productuspto-grants-2016_08

HRID 1480094As reactantuspto-grants-2016_08

Compound notes

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