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1477949-42-0 | Carbamic acid, N-[4-oxo-4-[(2-phenylethyl)amino]butyl]-, ethyl ester
CAS No: 1477949-42-0 Catalog No: AG001F7S MDL No:MFCD28348356
Product Description
Catalog Number:
AG001F7S
Chemical Name:
Carbamic acid, N-[4-oxo-4-[(2-phenylethyl)amino]butyl]-, ethyl ester
CAS Number:
1477949-42-0
Molecular Formula:
C15H22N2O3
Molecular Weight:
278.3468
MDL Number:
MFCD28348356
IUPAC Name:
ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
InChI:
InChI=1S/C15H22N2O3/c1-2-20-15(19)17-11-6-9-14(18)16-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)
InChI Key:
HTOYBIILVCHURC-UHFFFAOYSA-N
SMILES:
CCOC(=O)NCCCC(=O)NCCc1ccccc1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.352g/mol
Monoisotopic Mass:
278.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Santacruzamate A, a potent and selective histone deacetylase inhibitor from the Panamanian marine cyanobacterium cf. Symploca sp. | Journal of natural products 20131122 |
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