N-(N2-Boc-2-Aminophenyl)-N'-phenylheptanediamide - CAS 1217017-33-8
Catalog: |
BB061855 |
Product Name: |
N-(N2-Boc-2-Aminophenyl)-N'-phenylheptanediamide |
CAS: |
1217017-33-8 |
Synonyms: |
N1-(N'-Boc-2-Aminophenyl)-N7-phenylheptanediamide |
IUPAC Name: | tert-butyl N-[2-[(7-anilino-7-oxoheptanoyl)amino]phenyl]carbamate |
Description: | Protected N-(2-Aminophenyl)-N'-phenylheptanediamide |
Molecular Weight: | 425.52 |
Molecular Formula: | C24H31N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=CC=C1NC(=O)CCCCCC(=O)NC2=CC=CC=C2 |
InChI: | InChI=1S/C24H31N3O4/c1-24(2,3)31-23(30)27-20-15-11-10-14-19(20)26-22(29)17-9-5-8-16-21(28)25-18-12-6-4-7-13-18/h4,6-7,10-15H,5,8-9,16-17H2,1-3H3,(H,25,28)(H,26,29)(H,27,30) |
InChI Key: | HFNCPUKVONEFHY-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Ethyl Acetate |
Appearance: | Pale Red Solid |
Complexity: | 582 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 425.23145648 |
Formal Charge: | 0 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 425.23145648 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 96.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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