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212707-60-3 | 2-Propenamide, 3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-, (2E)-
CAS No: 212707-60-3 Catalog No: AG00I437 MDL No:MFCD30537121
Product Description
Catalog Number:
AG00I437
Chemical Name:
2-Propenamide, 3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-, (2E)-
CAS Number:
212707-60-3
Molecular Formula:
C19H18N2O2
Molecular Weight:
306.3584
MDL Number:
MFCD30537121
IUPAC Name:
(E)-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
InChI:
InChI=1S/C19H18N2O2/c22-16-8-5-14(6-9-16)7-10-19(23)20-12-11-15-13-21-18-4-2-1-3-17(15)18/h1-10,13,21-22H,11-12H2,(H,20,23)/b10-7+
InChI Key:
CDMGLLBADMBULG-JXMROGBWSA-N
SMILES:
O=C(/C=C/c1ccc(cc1)O)NCCc1c[nH]c2c1cccc2
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
306.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
306.365g/mol
Monoisotopic Mass:
306.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Characterization of the binding properties of SIRT2 inhibitors with a N-(3-phenylpropenoyl)-glycine tryptamide backbone. | Bioorganic & medicinal chemistry 20080901 |
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