Home Aminos 3-[(4-phenylbutan-2-yl)amino]azepan-2-one

3-[(4-phenylbutan-2-yl)amino]azepan-2-one

CAS No.:
1214106-64-5
Catalog Number:
AG01AMT1
Molecular Formula:
C16H24N2O
Molecular Weight:
260.3746
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Product Description
Catalog Number:
AG01AMT1
Chemical Name:
3-[(4-phenylbutan-2-yl)amino]azepan-2-one
CAS Number:
1214106-64-5
Molecular Formula:
C16H24N2O
Molecular Weight:
260.3746
MDL Number:
MFCD09035442
IUPAC Name:
3-(4-phenylbutan-2-ylamino)azepan-2-one
InChI:
InChI=1S/C16H24N2O/c1-13(10-11-14-7-3-2-4-8-14)18-15-9-5-6-12-17-16(15)19/h2-4,7-8,13,15,18H,5-6,9-12H2,1H3,(H,17,19)
InChI Key:
NJOZBIQLKIEQDG-UHFFFAOYSA-N
SMILES:
CC(NC1CCCCNC1=O)CCc1ccccc1
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.189g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
260.381g/mol
Monoisotopic Mass:
260.189g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties