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80649-55-4 | N-[1-(4-CYCLOPENTYLPHENYL)ETHYL]-N-METHYL-2-MORPHOLIN-4-YL-ACETAMIDE MALEATE
CAS No: 80649-55-4 Catalog No: AG005K03 MDL No:
Product Description
Catalog Number:
AG005K03
Chemical Name:
N-[1-(4-CYCLOPENTYLPHENYL)ETHYL]-N-METHYL-2-MORPHOLIN-4-YL-ACETAMIDE MALEATE
CAS Number:
80649-55-4
Molecular Formula:
C24H34N2O6
Molecular Weight:
446.5366
IUPAC Name:
but-2-enedioic acid;N-[1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-morpholin-4-ylacetamide
InChI:
InChI=1S/C20H30N2O2.C4H4O4/c1-16(21(2)20(23)15-22-11-13-24-14-12-22)17-7-9-19(10-8-17)18-5-3-4-6-18;5-3(6)1-2-4(7)8/h7-10,16,18H,3-6,11-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)
InChI Key:
QODCLNRAPSZHLF-UHFFFAOYSA-N
SMILES:
O=C(N(C(c1ccc(cc1)C1CCCC1)C)C)CN1CCOCC1.OC(=O)/C=C\C(=O)O
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.242g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
446.544g/mol
Monoisotopic Mass:
446.242g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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