(4-{4-[2-(Carbamoylmethylamino)ethoxy]phenyl}butyl)carbamic acid tert-butyl ester
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCCCc1ccc(OCCNCC(N)=O)cc1- InChIKey
YAFMQNCCXDVRMO-UHFFFAOYSA-N- Molecular formula
- C19H31N3O4
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.23145648
Names & identifiers
- Preferred name
- (4-{4-[2-(Carbamoylmethylamino)ethoxy]phenyl}butyl)carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-[4-[2-[(2-amino-2-oxoethyl)amino]ethoxy]phenyl]butyl]carbamate
Names & synonyms
SCHEMBL910743YAFMQNCCXDVRMO-UHFFFAOYSA-N(4-{4-[2-(Carbamoylmethylamino)ethoxy]phenyl}butyl)carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 58809802
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 415
Related reactions
6 records
Compound notes
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