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Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(CCNC(N)=O)c1ccc(Cl)cc1- InChIKey
DKIZLDLQVMLCSO-UHFFFAOYSA-N- Molecular formula
- C15H22ClN3O3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.1349693
Names & identifiers
- Preferred name
- Tert-butyl 1-(4-chlorophenyl)-3-ureidopropylcarbamate
- IUPAC
- tert-butyl N-[3-(carbamoylamino)-1-(4-chlorophenyl)propyl]carbamate
Names & synonyms
SCHEMBL387775DKIZLDLQVMLCSO-UHFFFAOYSA-NDB-159426tert-butyl 1-(4-chlorophenyl)-3-ureidopropylcarbamateN-[3-[(aminocarbonyl)amino]-1-(4-chlorophenyl)propyl]carbamic acid 1,1-dimethylethyl ester1143535-72-1
Database identifiers
- PubChem CID
- 57750307
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Related reactions
4 records
Compound notes
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