t-Butyl 3-methoxy-4-o-tolylureidophenylacetate

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Basic information

Standard SMILES: COc1cc(CC(=O)OC(C)(C)C)ccc1NC(=O)Nc1ccccc1C
InChIKey: SYUIIMXWCUWWMP-UHFFFAOYSA-N
Molecular formula: C21H26N2O4
Average molar mass: 370.4 g/mol
Monoisotopic mass: 370.18925731

Names & identifiers

Preferred name: t-Butyl 3-methoxy-4-o-tolylureidophenylacetate
IUPAC: tert-butyl 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetate

Names & synonyms

SCHEMBL6037562SYUIIMXWCUWWMP-UHFFFAOYSA-Nt-Butyl 3-methoxy-4-o-tolylureidophenylacetate

Database identifiers

PubChem CID: 69645017

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 76.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 503

Related reactions

10 records

New reaction record

HRID 120711As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 173911As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 381252As productuspto-grants-2001_10

HRID 381253As reactantuspto-grants-2001_10

HRID 842970As productuspto-grants-2002_04

HRID 842971As reactantuspto-grants-2002_04

HRID 987112As productuspto-grants-2003_10

HRID 987113As reactantuspto-grants-2003_10

Compound notes

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