[2-[[4-(Aminomethyl)benzoyl]amino]phenyl]-carbamic Acid tert-Butyl Ester - CAS 209784-85-0
Catalog: |
BB074634 |
Product Name: |
[2-[[4-(Aminomethyl)benzoyl]amino]phenyl]-carbamic Acid tert-Butyl Ester |
CAS: |
209784-85-0 |
Synonyms: |
tert-Butyl (2-(4-(aminomethyl)benzamido)phenyl)carbamate; tert-Butyl N-(2-{[4-(aminomethyl)benzene]amido}phenyl)carbamate; tert-butyl N-[2-[[4-(aminomethyl)benzoyl]amino]phenyl]carbamate; [2-[[4-(Aminomethyl)benzoyl]amino]phenyl]-carbamic Acid tert-Butyl Ester; tert-Butyl(2-(4-(aminomethyl)benzamido)phenyl)carbamate |
IUPAC Name: | tert-butyl N-[2-[[4-(aminomethyl)benzoyl]amino]phenyl]carbamate |
Description: | [2-[[4-(Aminomethyl)benzoyl]amino]phenyl]-carbamic Acid tert-Butyl Ester is a reactant for the preparation of benzamide derivatives for enzyme inhibitors and anticancer agents |
Molecular Weight: | 542.67 |
Molecular Formula: | C19H23N3O3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN |
InChI: | InChI=1S/C19H23N3O3/c1-19(2,3)25-18(24)22-16-7-5-4-6-15(16)21-17(23)14-10-8-13(12-20)9-11-14/h4-11H,12,20H2,1-3H3,(H,21,23)(H,22,24) |
InChI Key: | KHBAZSBJXFMJSA-UHFFFAOYSA-N |
Complexity: | 453 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 341.1739416 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 341.1739416 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 93.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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