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Home > Other Heterocycles > 89732-28-5
89732-28-5 | Benzamide, N-(1-methyl-1-azaspiro[4.5]dec-4-yl)-, (2E)-2-butenedioate(1:1)
CAS No: 89732-28-5 Catalog No: AG0041HK MDL No:
Product Description
Catalog Number:
AG0041HK
Chemical Name:
Benzamide, N-(1-methyl-1-azaspiro[4.5]dec-4-yl)-, (2E)-2-butenedioate(1:1)
CAS Number:
89732-28-5
Molecular Formula:
C21H28N2O5
Molecular Weight:
388.4574
IUPAC Name:
but-2-enedioic acid;N-(1-methyl-1-azaspiro[4.5]decan-4-yl)benzamide
InChI:
InChI=1S/C17H24N2O.C4H4O4/c1-19-13-10-15(17(19)11-6-3-7-12-17)18-16(20)14-8-4-2-5-9-14;5-3(6)1-2-4(7)8/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,18,20);1-2H,(H,5,6)(H,7,8)
InChI Key:
MOLCOSMJECBNRF-UHFFFAOYSA-N
SMILES:
CN1CCC(C21CCCCC2)NC(=O)c1ccccc1.OC(=O)/C=C/C(=O)O
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.2g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
388.464g/mol
Monoisotopic Mass:
388.2g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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