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85760-90-3 | 2-Pyrrolidinecarboxamide,1-benzoyl-5-oxo-N,N-dipropyl-, (S)- (9CI)
CAS No: 85760-90-3 Catalog No: AG004OVK MDL No:
Product Description
Catalog Number:
AG004OVK
Chemical Name:
2-Pyrrolidinecarboxamide,1-benzoyl-5-oxo-N,N-dipropyl-, (S)- (9CI)
CAS Number:
85760-90-3
Molecular Formula:
C18H24N2O3
Molecular Weight:
316.3948
IUPAC Name:
(2S)-1-benzoyl-5-oxo-N,N-dipropylpyrrolidine-2-carboxamide
InChI:
InChI=1S/C18H24N2O3/c1-3-12-19(13-4-2)18(23)15-10-11-16(21)20(15)17(22)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3/t15-/m0/s1
InChI Key:
VLJYURHJBDTROS-HNNXBMFYSA-N
SMILES:
CCCN(C(=O)[C@@H]1CCC(=O)N1C(=O)c1ccccc1)CCC
EC Number:
288-568-8
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
316.179g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.401g/mol
Monoisotopic Mass:
316.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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