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23576-37-6 | Pentanamide, 2-amino-N-(4-methoxy-2-naphthalenyl)-4-methyl-, (2S)-
CAS No: 23576-37-6 Catalog No: AG002NQK MDL No:
Product Description
Catalog Number:
AG002NQK
Chemical Name:
Pentanamide, 2-amino-N-(4-methoxy-2-naphthalenyl)-4-methyl-, (2S)-
CAS Number:
23576-37-6
Molecular Formula:
C17H22N2O2
Molecular Weight:
286.3688
IUPAC Name:
(2S)-2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide
InChI:
InChI=1S/C17H22N2O2/c1-11(2)8-15(18)17(20)19-13-9-12-6-4-5-7-14(12)16(10-13)21-3/h4-7,9-11,15H,8,18H2,1-3H3,(H,19,20)/t15-/m0/s1
InChI Key:
MVVPAYGKZXZGRC-HNNXBMFYSA-N
SMILES:
COc1cc(NC(=O)[C@H](CC(C)C)N)cc2c1cccc2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
286.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.375g/mol
Monoisotopic Mass:
286.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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